Institute of Microbial Technology (सूक्ष्मजीव प्रौद्योगिकी संस्थान)
A Council of Scientific & Industrial Research (वैज्ञानिक औद्योगिक अनुसंधान परिषद)
Epi
DBase
Small molecule modulators of Epigenetic proteins
Home
Introduction
Search
Text
Advanced
Structure
PDB Structure
Catalog
Ligands
Proteins
Statistics
Downloads
SMILES
Help
How to Search
Search result for
cancer
disease
Protein Name
Protein Structure
Compounds
CREBBP
CREBBP
Click to Expand
total 14 compounds
Ligand Name
IC
50
(µM)
Inhibition
Ki
Comments
PubMed ID
gamma_butyrolactone_3
gamma_butyrolactone_3
Property
Value
Molecule Weight
184.19
Acceptor count
3
Donor count
1
XLOGP
1.82
Rotatable bond
5
Aromatic rings
0
Download 2D Structure
Download 3D Structure
500
-
-
-
15274229
gamma_butyrolactone_4
gamma_butyrolactone_4
Property
Value
Molecule Weight
198.22
Acceptor count
3
Donor count
1
XLOGP
2.27
Rotatable bond
6
Aromatic rings
0
Download 2D Structure
Download 3D Structure
1850
-
-
-
15274229
gamma_butyrolactone_5
gamma_butyrolactone_5
Property
Value
Molecule Weight
212.25
Acceptor count
3
Donor count
1
XLOGP
2.72
Rotatable bond
7
Aromatic rings
0
Download 2D Structure
Download 3D Structure
1850
-
-
-
15274229
4_hydroxyquinoline_derv_1
4_hydroxyquinoline_derv_1
Property
Value
Molecule Weight
231.25
Acceptor count
3
Donor count
1
XLOGP
2.82
Rotatable bond
6
Aromatic rings
2
Download 2D Structure
Download 3D Structure
ND
86.6 % inhibition at 50 µM
-
-
19144517
4_hydroxyquinoline_derv_2
4_hydroxyquinoline_derv_2
Property
Value
Molecule Weight
203.2
Acceptor count
3
Donor count
2
XLOGP
2.07
Rotatable bond
4
Aromatic rings
2
Download 2D Structure
Download 3D Structure
ND
79.5 % inhibition at 50 µM
-
-
19144517
4_hydroxyquinoline_derv_3
4_hydroxyquinoline_derv_3
Property
Value
Molecule Weight
287.36
Acceptor count
3
Donor count
1
XLOGP
4.59
Rotatable bond
10
Aromatic rings
2
Download 2D Structure
Download 3D Structure
ND
8.8 % inhibition at 50 µM
-
-
19144517
MC1823
MC1823
Property
Value
Molecule Weight
259.3
Acceptor count
3
Donor count
2
XLOGP
3.84
Rotatable bond
8
Aromatic rings
2
Download 2D Structure
Download 3D Structure
ND
81 % inhibition at 50 µM
-
-
19144517
4_hydroxyquinoline_derv_5
4_hydroxyquinoline_derv_5
Property
Value
Molecule Weight
357.49
Acceptor count
3
Donor count
1
XLOGP
6.84
Rotatable bond
15
Aromatic rings
2
Download 2D Structure
Download 3D Structure
ND
6.6 % inhibition at 50 µM
-
-
19144517
4_hydroxyquinoline_derv_6
4_hydroxyquinoline_derv_6
Property
Value
Molecule Weight
329.44
Acceptor count
3
Donor count
2
XLOGP
6.09
Rotatable bond
13
Aromatic rings
2
Download 2D Structure
Download 3D Structure
ND
86.8 % inhibition at 50 µM
-
-
19144517
4_hydroxyquinoline_derv_7
4_hydroxyquinoline_derv_7
Property
Value
Molecule Weight
427.63
Acceptor count
3
Donor count
1
XLOGP
9.09
Rotatable bond
20
Aromatic rings
2
Download 2D Structure
Download 3D Structure
ND
-
-
116.5 % activity at 50 µM
19144517
4_hydroxyquinoline_derv_8
4_hydroxyquinoline_derv_8
Property
Value
Molecule Weight
399.57
Acceptor count
3
Donor count
2
XLOGP
8.34
Rotatable bond
18
Aromatic rings
2
Download 2D Structure
Download 3D Structure
ND
85.6 % inhibition at 50 µM
-
-
19144517
Epigallocatechin_3_gallate
Epigallocatechin_3_gallate
Property
Value
Molecule Weight
458.38
Acceptor count
10
Donor count
8
XLOGP
2.76
Rotatable bond
12
Aromatic rings
3
Download 2D Structure
Download 3D Structure
50
53.1 % inhibition at 50 µM
-
constituent of green tea
19147572
Peptoid_based_derivative_1
Peptoid_based_derivative_1
Property
Value
Molecule Weight
944.01
Acceptor count
17
Donor count
4
XLOGP
-3.39
Rotatable bond
39
Aromatic rings
4
Download 2D Structure
Download 3D Structure
ND
-
-
-
19380225
MB3
MB3
Property
Value
Molecule Weight
184.19
Acceptor count
3
Donor count
1
XLOGP
1.82
Rotatable bond
5
Aromatic rings
0
Download 2D Structure
Download 3D Structure
100
-
-
inhibits the splicing cycle of pre-mRNA in vitro; cell-permeable GCN5 inhibitor
20493978
GCN5
GCN5
Click to Expand
total 48 compounds
Ligand Name
IC
50
(µM)
Inhibition
Ki
Comments
PubMed ID
H3CoA20
H3CoA20
Property
Value
Molecule Weight
3163.32
Acceptor count
86
Donor count
50
XLOGP
-18.16
Rotatable bond
164
Aromatic rings
2
Download 2D Structure
Download 3D Structure
0.3
-
-
Gcn5(Tetrahymena)
12391296
H3_Me_CoA20
H3_Me_CoA20
Property
Value
Molecule Weight
3177.34
Acceptor count
86
Donor count
50
XLOGP
-17.65
Rotatable bond
165
Aromatic rings
2
Download 2D Structure
Download 3D Structure
0.3
-
-
Gcn5(Tetrahymena)
12391296
H3_Me_CoA7
H3_Me_CoA7
Property
Value
Molecule Weight
1707.64
Acceptor count
45
Donor count
23
XLOGP
-10.78
Rotatable bond
79
Aromatic rings
2
Download 2D Structure
Download 3D Structure
15
-
-
Gcn5(Tetrahymena)
12391296
H3CoA20
H3CoA20
Property
Value
Molecule Weight
3163.32
Acceptor count
86
Donor count
50
XLOGP
-18.16
Rotatable bond
164
Aromatic rings
2
Download 2D Structure
Download 3D Structure
0.3
-
-
Gcn5(Tetrahymena)
12391296
gamma_butyrolactone_3
gamma_butyrolactone_3
Property
Value
Molecule Weight
184.19
Acceptor count
3
Donor count
1
XLOGP
1.82
Rotatable bond
5
Aromatic rings
0
Download 2D Structure
Download 3D Structure
100
-
-
-
15274229
Anacardic_acid_analogue_10
Anacardic_acid_analogue_10
Property
Value
Molecule Weight
215.25
Acceptor count
2
Donor count
1
XLOGP
2.78
Rotatable bond
5
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
-
-
-
17154519
Anacardic_acid_analogue_6
Anacardic_acid_analogue_6
Property
Value
Molecule Weight
324.53
Acceptor count
2
Donor count
1
XLOGP
8.63
Rotatable bond
16
Aromatic rings
1
Download 2D Structure
Download 3D Structure
-
-
-
-
17154519
Anacardic_acid_analogue_7
Anacardic_acid_analogue_7
Property
Value
Molecule Weight
382.57
Acceptor count
4
Donor count
2
XLOGP
8.71
Rotatable bond
19
Aromatic rings
1
Download 2D Structure
Download 3D Structure
-
-
-
-
17154519
Anacardic_acid_analogue_8
Anacardic_acid_analogue_8
Property
Value
Molecule Weight
397.6
Acceptor count
2
Donor count
0
XLOGP
8.41
Rotatable bond
18
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
-
-
-
17154519
Carbethoxy_methylquinoline_analogue_15
Carbethoxy_methylquinoline_analogue_15
Property
Value
Molecule Weight
231.25
Acceptor count
3
Donor count
1
XLOGP
2.82
Rotatable bond
6
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
-
-
-
17154519
Carbethoxy_methylquinoline_analogue_16
Carbethoxy_methylquinoline_analogue_16
Property
Value
Molecule Weight
165.19
Acceptor count
2
Donor count
0
XLOGP
1.17
Rotatable bond
5
Aromatic rings
1
Download 2D Structure
Download 3D Structure
-
-
-
-
17154519
Carbethoxy_methylquinoline_analogue_17
Carbethoxy_methylquinoline_analogue_17
Property
Value
Molecule Weight
143.19
Acceptor count
0
Donor count
0
XLOGP
2.28
Rotatable bond
1
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
-
-
-
17154519
Carbethoxy_methylquinoline_analogue_18
Carbethoxy_methylquinoline_analogue_18
Property
Value
Molecule Weight
201.22
Acceptor count
2
Donor count
0
XLOGP
2.4
Rotatable bond
4
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
-
-
-
17154519
Carbethoxy_methylquinoline_analogue_19
Carbethoxy_methylquinoline_analogue_19
Property
Value
Molecule Weight
200.24
Acceptor count
2
Donor count
0
XLOGP
3.57
Rotatable bond
4
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
-
-
-
17154519
Carbethoxy_methylquinoline_analogue_20
Carbethoxy_methylquinoline_analogue_20
Property
Value
Molecule Weight
173.17
Acceptor count
2
Donor count
1
XLOGP
1.65
Rotatable bond
2
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
-
-
-
17154519
Carbethoxy_methylquinoline_analogue_21
Carbethoxy_methylquinoline_analogue_21
Property
Value
Molecule Weight
172.19
Acceptor count
2
Donor count
1
XLOGP
0.93
Rotatable bond
2
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
-
-
-
17154519
Lys_CoA_analogue_1
Lys_CoA_analogue_1
Property
Value
Molecule Weight
290.38
Acceptor count
7
Donor count
2
XLOGP
0.25
 nbsp;
Rotatable bond
15
Aromatic rings
0
Download 2D Structure
Download 3D Structure
-
-
-
-
17154519
Lys_CoA_analogue_2
Lys_CoA_analogue_2
Property
Value
Molecule Weight
312.39
Acceptor count
6
Donor count
2
XLOGP
1.1
Rotatable bond
13
Aromatic rings
1
Download 2D Structure
Download 3D Structure
-
-
-
-
17154519
Lys_CoA_analogue_3
Lys_CoA_analogue_3
Property
Value
Molecule Weight
294.37
Acceptor count
4
Donor count
1
XLOGP
0.79
Rotatable bond
9
Aromatic rings
1
Download 2D Structure
Download 3D Structure
-
-
-
-
17154519
Lys_CoA_analogue_4
Lys_CoA_analogue_4
Property
Value
Molecule Weight
316.38
Acceptor count
3
Donor count
1
XLOGP
1.63
Rotatable bond
7
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
-
-
-
17154519
Thiazole_derv_1
Thiazole_derv_1
Property
Value
Molecule Weight
287.39
Acceptor count
3
Donor count
1
XLOGP
6.25
Rotatable bond
5
Aromatic rings
2
Download 2D Structure
Download 3D Structure
ND
-
-
-
19099397
Thiazole_derv_2
Thiazole_derv_2
Property
Value
Molecule Weight
291.8
Acceptor count
2
Donor count
1
XLOGP
6.9
Rotatable bond
3
Aromatic rings
2
Download 2D Structure
Download 3D Structure
ND
-
-
-
19099397
Thiazole_derv_3
Thiazole_derv_3
Property
Value
Molecule Weight
301.41
Acceptor count
3
Donor count
1
XLOGP
6.67
Rotatable bond
6
Aromatic rings
2
Download 2D Structure
Download 3D Structure
ND
-
-
-
19099397
Thiazole_derv_4
Thiazole_derv_4
Property
Value
Molecule Weight
305.83
Acceptor count
2
Donor count
1
XLOGP
7.33
Rotatable bond
4
Aromatic rings
2
Download 2D Structure
Download 3D Structure
ND
-
-
-
19099397
Thiazole_derv_5
Thiazole_derv_5
Property
Value
Molecule Weight
301.41
Acceptor count
3
Donor count
1
XLOGP
6.51
Rotatable bond
6
Aromatic rings
2
Download 2D Structure
Download 3D Structure
ND
-
-
-
19099397
Thiazole_derv_6
Thiazole_derv_6
Property
Value
Molecule Weight
305.83
Acceptor count
2
Donor count
1
XLOGP
7.17
Rotatable bond
4
Aromatic rings
2
Download 2D Structure
Download 3D Structure
ND
-
-
-
19099397
Thiazole_derv_7
Thiazole_derv_7
Property
Value
Molecule Weight
301.41
Acceptor count
3
Donor count
1
XLOGP
6.7
Rotatable bond
5
Aromatic rings
2
Download 2D Structure
Download 3D Structure
ND
-
-
-
19099397
Thiazole_derv_8
Thiazole_derv_8
Property
Value
Molecule Weight
305.83
Acceptor count
2
Donor count
1
XLOGP
7.35
Rotatable bond
3
Aromatic rings
2
Download 2D Structure
Download 3D Structure
ND
-
-
-
19099397
Thiazole_derv_9
Thiazole_derv_9
Property
Value
Molecule Weight
315.44
Acceptor count
3
Donor count
1
XLOGP
7.12
Rotatable bond
6
Aromatic rings
2
Download 2D Structure
Download 3D Structure
ND
-
-
-
19099397
Thiazole_derv_10
Thiazole_derv_10
Property
Value
Molecule Weight
319.86
Acceptor count
2
Donor count
1
XLOGP
7.78
Rotatable bond
4
Aromatic rings
2
Download 2D Structure
Download 3D Structure
ND
-
-
-
19099397
Thiazole_derv_11
Thiazole_derv_11
Property
Value
Molecule Weight
315.44
Acceptor count
3
&nbnbsp;
Donor count
1
XLOGP
6.96
Rotatable bond
6
Aromatic rings
2
Download 2D Structure
Download 3D Structure
ND
-
-
-
19099397
Thiazole_derv_12
Thiazole_derv_12
Property
Value
Molecule Weight
319.86
Acceptor count
2
Donor count
1
XLOGP
7.62
Rotatable bond
4
Aromatic rings
2
Download 2D Structure
Download 3D Structure
ND
-
-
-
19099397
Thiazole_derv_13_R
Thiazole_derv_13_R
Property
Value
Molecule Weight
315.44
Acceptor count
3
Donor count
1
XLOGP
6.96
Rotatable bond
6
Aromatic rings
2
Download 2D Structure
Download 3D Structure
ND
-
-
-
19099397
Thiazole_derv_14_R
Thiazole_derv_14_R
Property
Value
Molecule Weight
319.86
Acceptor count
2
Donor count
1
XLOGP
7.62
Rotatable bond
4
Aromatic rings
2
Download 2D Structure
Download 3D Structure
ND
-
-
-
19099397
Thiazole_derv_15
Thiazole_derv_15
Property
Value
Molecule Weight
315.44
Acceptor count
3
Donor count
1
XLOGP
6.96
Rotatable bond
6
Aromatic rings
2
Download 2D Structure
Download 3D Structure
ND
-
-
-
19099397
Thiazole_derv_16
Thiazole_derv_16
Property
Value
Molecule Weight
319.86
Acceptor count
2
Donor count
1
XLOGP
7.62
Rotatable bond
4
Aromatic rings
2
Download 2D Structure
Download 3D Structure
ND
-
-
-
19099397
Thiazole_derv_17
Thiazole_derv_17
Property
Value
Molecule Weight
315.44
Acceptor count
3
Donor count
1
XLOGP
7.15
Rotatable bond
5
Aromatic rings
2
Download 2D Structure
Download 3D Structure
ND
-
-
-
19099397
Thiazole_derv_18
Thiazole_derv_18
Property
Value
Molecule Weight
319.86
Acceptor count
2
Donor count
1
XLOGP
7.8
Rotatable bond
3
Aromatic rings
2
Download 2D Structure
Download 3D Structure
ND
-
-
-
19099397
4_hydroxyquinoline_derv_1
4_hydroxyquinoline_derv_1
Property
Value
Molecule Weight
231.25
Acceptor count
3
Donor count
1
XLOGP
2.82
Rotatable bond
6
Aromatic rings
2
Download 2D Structure
Download 3D Structure
ND
2.6 % inhibition at 50 µM
-
-
19144517
4_hydroxyquinoline_derv_2
4_hydroxyquinoline_derv_2
Property
Value
Molecule Weight
203.2
Acceptor count
3
Donor count
2
XLOGP
2.07
Rotatable bond
4
Aromatic rings
2
Download 2D Structure
Download 3D Structure
ND
2.6 % inhibition at 50 µM
-
-
19144517
4_hydroxyquinoline_derv_3
4_hydroxyquinoline_derv_3
&nbnbsp;
Property
Value
Molecule Weight
287.36
Acceptor count
3
Donor count
1
XLOGP
4.59
Rotatable bond
10
Aromatic rings
2
Download 2D Structure
Download 3D Structure
ND
-
-
101.8 % activity at 50 µM
19144517
MC1823
MC1823
Property
Value
Molecule Weight
259.3
Acceptor count
3
Donor count
2
XLOGP
3.84
Rotatable bond
8
Aromatic rings
2
Download 2D Structure
Download 3D Structure
ND
2 % inhibition at 50 µM
-
-
19144517
4_hydroxyquinoline_derv_5
4_hydroxyquinoline_derv_5
Property
Value
Molecule Weight
357.49
Acceptor count
3
Donor count
1
XLOGP
6.84
Rotatable bond
15
Aromatic rings
2
Download 2D Structure
Download 3D Structure
ND
6.6 % inhibition at 50 µM
-
-
19144517
4_hydroxyquinoline_derv_6
4_hydroxyquinoline_derv_6
Property
Value
Molecule Weight
329.44
Acceptor count
3
Donor count
2
XLOGP
6.09
Rotatable bond
13
Aromatic rings
2
Download 2D Structure
Download 3D Structure
ND
4.6 % inhibition at 50 µM
-
-
19144517
4_hydroxyquinoline_derv_7
4_hydroxyquinoline_derv_7
Property
Value
Molecule Weight
427.63
Acceptor count
3
Donor count
1
XLOGP
9.09
Rotatable bond
20
Aromatic rings
2
Download 2D Structure
Download 3D Structure
ND
3.2 % inhibition at 50 µM
-
-
19144517
4_hydroxyquinoline_derv_8
4_hydroxyquinoline_derv_8
Property
Value
Molecule Weight
399.57
Acceptor count
3
Donor count
2
XLOGP
8.34
Rotatable bond
18
Aromatic rings
2
Download 2D Structure
Download 3D Structure
ND
85.6 % inhibition at 50 µM
-
103.3 % activity at 50 µM
19144517
MC1626
MC1626
Property
Value
Molecule Weight
215.25
Acceptor count
2
Donor count
0
XLOGP
2.6
Rotatable bond
5
Aromatic rings
2
Download 2D Structure
Download 3D Structure
ND
-
-
inhibit yeast cell growth, Gcn5-dependent gene transcription and acetylation of histone H3 in vivo
20493978
MC1752
MC1752
Property
Value
Molecule Weight
201.22
Acceptor count
2
Donor count
0
XLOGP
2.4
Rotatable bond
4
Aromatic rings
2
Download 2D Structure
Download 3D Structure
ND
-
-
inhibit yeast cell growth, Gcn5-dependent gene transcription and acetylation of histone H3 in vivo
20493978
P300
P300
Click to Expand
total 182 compounds
Ligand Name
IC
50
(µM)
Inhibition
Ki
Comments
PubMed ID
Prostaglandin_A2
Prostaglandin_A2
Property
Value
Molecule Weight
334.46
Acceptor count
4
Donor count
2
XLOGP
3.14
Rotatable bond
15
Aromatic rings
0
Download 2D Structure
Download 3D Structure
-
-
-
No inhibition
22141352
CoASH
CoASH
Property
Value
Molecule Weight
781.57
Acceptor count
19
Donor count
9
XLOGP
-6.37
Rotatable bond
31
Aromatic rings
2
Download 2D Structure
Download 3D Structure
200
-
-
-
10882143
H3CoA20
H3CoA20
Property
Value
Molecule Weight
3163.32
Acceptor count
86
Donor count
50
XLOGP
-18.16
Rotatable bond
164
Aromatic rings
2
Download 2D Structure
Download 3D Structure
200
-
-
-
10882143
H3CoA7
H3CoA7
Property
Value
Molecule Weight
1693.61
Acceptor count
45
Donor count
23
XLOGP
-11.29
Rotatable bond
78
Aromatic rings
2
Download 2D Structure
Download 3D Structure
30
-
-
-
10882143
H4CoA20
H4CoA20
Property
Value
Molecule Weight
2891.96
Acceptor count
82
Donor count
47
XLOGP
-19.63
Rotatable bond
150
Aromatic rings
2
Download 2D Structure
Download 3D Structure
10
-
-
-
10882143
Lys_CoA
Lys_CoA
Property
Value
Molecule Weight
1008.83
Acceptor count
25
Donor count
12
XLOGP
-7.93
Rotatable bond
44
Aromatic rings
2
Download 2D Structure
Download 3D Structure
0.5
-
-
-
24300735
Anacardic_acid
Anacardic_acid
Property
Value
Molecule Weight
342.48
Acceptor count
3
Donor count
2
XLOGP
5.94
Rotatable bond
15
Aromatic rings
1
Download 2D Structure
Download 3D Structure
8.5
-
-
-
12624111
CTPB
CTPB
Property
Value
Molecule Weight
554.14
Acceptor count
6
Donor count
1
XLOGP
11.46
Rotatable bond
22
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
-
-
activator of p300
12624111
Cinnamoyl_compound_derivative_1a
Cinnamoyl_compound_derivative_1a
Property
Value
Molecule Weight
340.33
Acceptor count
6
Donor count
5
XLOGP
3.88
Rotatable bond
10
Aromatic rings
2
Download 2D Structure
Download 3D Structure
46
-
-
-
17348637
Cinnamoyl_compound_derivative_1b
Cinnamoyl_compound_derivative_1b
Property
Value
Molecule Weight
396.35
Acceptor count
8
Donor count
5
XLOGP
3.77
Rotatable bond
12
Aromatic rings
2
Download 2D Structure
Download 3D Structure
21
-
-
-
17348637
Cinnamoyl_compound_derivative_1c
Cinnamoyl_compound_derivative_1c
Property
Value
Molecule Weight
466.13
Acceptor count
4
Donor count
3
XLOGP
6.22
Rotatable bond
8
Aromatic rings
2
Download 2D Structure
Download 3D Structure
33
-
-
-
17348637
Cinnamoyl_compound_derivative_2a
Cinnamoyl_compound_derivative_2a
Property
Value
Molecule Weight
338.36
Acceptor count
5
Donor count
4
XLOGP
3.37
Rotatable bond
6
Aromatic rings
2
Download 2D Structure
Download 3D Structure
233
-
-
-
17348637
Cinnamoyl_compound_derivative_2b
Cinnamoyl_compound_derivative_2b
Property
Value
Molecule Weight
394.38
Acceptor count
7
Donor count
4
XLOGP
3.86
Rotatable bond
8
Aromatic rings
2
Download 2D Structure
Download 3D Structure
168
-
-
-
17348637
Cinnamoyl_compound_derivative_2c
Cinnamoyl_compound_derivative_2c
Property
Value
Molecule Weight
464.15
Acceptor count
3
Donor count
2
XLOGP
5.71
Rotatable bond
4
Aromatic rings
2
Download 2D Structure
Download 3D Structure
5
-
-
-
17348637
Cinnamoyl_compound_derivative_2d
Cinnamoyl_compound_derivative_2d
Property
Value
Molecule Weight
366.41
Acceptor count
5
Donor count
2
XLOGP
4.04
Rotatable bond
8
Aromatic rings
2
Download 2D Structure
Download 3D Structure
111
-
-
-
17348637
Cinnamoyl_compound_derivative_curcumin
Cinnamoyl_compound_derivative_curcumin
Property
Value
Molecule Weight
368.39
Acceptor count
6
Donor count
3
XLOGP
4.55
Rotatable bond
12
Aromatic rings
2
Download 2D Structure
Download 3D Structure
400
-
-
-
17348637
Garcinol
Garcinol
Property
Value
Molecule Weight
602.81
Acceptor count
6
Donor count
3
XLOGP
6.92
Rotatable bond
23
Aromatic rings
1
Download 2D Structure
Download 3D Structure
7
-
-
-
17584612
Isogarcinol
Isogarcinol
Property
Value
Molecule Weight
602.81
Acceptor count
5
Donor count
2
XLOGP
6.65
Rotatable bond
20
Aromatic rings
1
Download 2D Structure
Download 3D Structure
7
-
-
-
17584612
LTK13
LTK13
Property
Value
Molecule Weight
644.89
Acceptor count
5
Donor count
1
XLOGP
7.9
Rotatable bond
23
Aromatic rings
1
Download 2D Structure
Download 3D Structure
5-7
-
-
-
17584612
LTK13A
LTK13A
Property
Value
Molecule Weight
686.97
Acceptor count
5
Donor count
0
XLOGP
9.15
Rotatable bond
26
Aromatic rings
1
Download 2D Structure
Download 3D Structure
ND
-
-
-
17584612
LTK14
LTK14
Property
Value
Molecule Weight
616.84
Acceptor count
5
Donor count
1
XLOGP
6.98
Rotatable bond
21
Aromatic rings
1
Download 2D Structure
Download 3D Structure
6
-
-
-
17584612
LTK14A
LTK14A
Property
Value
Molecule Weight
630.87
Acceptor count
5
Donor count
0
XLOGP
7.32
Rotatable bond
22
Aromatic rings
1
Download 2D Structure
Download 3D Structure
ND
-
-
-
17584612
LTK15
LTK15
Property
Value
Molecule Weight
686.89
Acceptor count
7
Donor count
0
XLOGP
7.18
Rotatable bond
24
Aromatic rings
1
Download 2D Structure
Download 3D Structure
ND
-
-
-
17584612
LTK19
LTK19
Property
Value
Molecule Weight
758.99
Acceptor count
11
Donor count
0
XLOGP
9.04
Rotatable bond
24
Aromatic rings
1
Download 2D Structure
Download 3D Structure
6
-
-
-
17584612
Anacardic_acid_analogue_4d
Anacardic_acid_analogue_4d
Property
Value
Molecule Weight
428.57
Acceptor count
5
Donor count
1
XLOGP
7.52
Rotatable bond
19
Aromatic rings
2
Download 2D Structure
Download 3D Structure
37
-
-
-
17876038
Anacardic_acid_analogue_4e
Anacardic_acid_analogue_4e
Property
Value
Molecule Weight
432.99
Acceptor count
4
Donor count
1
XLOGP
8.18
Rotatable bond
17
Aromatic rings
2
Download 2D Structure
Download 3D Structure
18
-
-
-
17876038
Anacardic_acid_analogue_4f
Anacardic_acid_analogue_4f
Property
Value
Molecule Weight
467.43
Acceptor count
4
Donor count
1
XLOGP
8.79
Rotatable bond
17
Aromatic rings
2
Download 2D Structure
Download 3D Structure
12
-
-
-
17876038
Anacardic_acid_analogue_4g
Anacardic_acid_analogue_4g
Property
Value
&nbsnbsp;
Molecule Weight
440.62
Acceptor count
4
Donor count
1
XLOGP
8.91
Rotatable bond
20
Aromatic rings
2
Download 2D Structure
Download 3D Structure
6
-
-
-
17876038
Anacardic_acid_analogue_4h
Anacardic_acid_analogue_4h
Property
Value
Molecule Weight
416.53
Acceptor count
5
Donor count
1
XLOGP
7.66
Rotatable bond
17
Aromatic rings
2
Download 2D Structure
Download 3D Structure
30
-
-
-
17876038
Anacardic_acid_analogue_4i
Anacardic_acid_analogue_4i
Property
Value
Molecule Weight
477.44
Acceptor count
4
Donor count
1
XLOGP
8.35
Rotatable bond
17
Aromatic rings
2
Download 2D Structure
Download 3D Structure
23
-
-
-
17876038
Anacardic_acid_analogue_4j
Anacardic_acid_analogue_4j
Property
Value
Molecule Weight
475.07
Acceptor count
4
Donor count
1
XLOGP
9.53
Rotatable bond
20
Aromatic rings
2
Download 2D Structure
Download 3D Structure
15
-
-
-
17876038
Anacardic_acid_analogue_4k
Anacardic_acid_analogue_4k
Property
Value
Molecule Weight
509.51
Acceptor count
4
Donor count
1
XLOGP
10.15
Rotatable bond
20
Aromatic rings
2
Download 2D Structure
Download 3D Structure
18
-
-
-
17876038
Anacardic_acid_analogue_4l
Anacardic_acid_analogue_4l
Property
Value
Molecule Weight
523.54
Acceptor count
4
Donor count
1
&nnbsp;
XLOGP
10.6
Rotatable bond
21
Aromatic rings
2
Download 2D Structure
Download 3D Structure
16
-
-
-
17876038
Anacardic_acid_analogue_4m
Anacardic_acid_analogue_4m
Property
Value
Molecule Weight
551.59
Acceptor count
4
Donor count
1
XLOGP
11.5
Rotatable bond
23
Aromatic rings
2
Download 2D Structure
Download 3D Structure
14
-
-
-
17876038
Anacardic_acid_analogue2_6
Anacardic_acid_analogue2_6
Property
Value
Molecule Weight
482.04
Acceptor count
7
Donor count
2
XLOGP
0
Rotatable bond
17
Aromatic rings
2
Download 2D Structure
&nnbsp;
Download 3D Structure
42
-
-
-
17876038
Isothiazolone_derivative1_10
Isothiazolone_derivative1_10
Property
Value
Molecule Weight
178.21
Acceptor count
1
Donor count
0
XLOGP
1.3
Rotatable bond
1
Aromatic rings
1
Download 2D Structure
Download 3D Structure
3
-
-
-
19101154
Isothiazolone_derivative1_13
Isothiazolone_derivative1_13
Property
Value
Molecule Weight
220.3
Acceptor count
2
Donor count
0
XLOGP
2.71
Rotatable bond
4
Aromatic rings
1
Download 2D Structure
Download 3D Structure
ND
-
-
-
19101154
Isothiazolone_derivative1_14
Isothiazolone_derivative1_14
Property
Value
Molecule Weight
262.33
Acceptor count
1
Donor count
0
XLOGP
1.88
Rotatable bond
2
Aromatic rings
1
Download 2D Structure
Download 3D Structure
9.9
-
-
-
19101154
Isothiazolone_derivative1_3
Isothiazolone_derivative1_3
Property
Value
Molecule Weight
177.23
Acceptor count
1
Donor count
0
XLOGP
2.6
Rotatable bond
1
Aromatic rings
1
Download 2D Structure
Download 3D Structure
23
-
-
-
19101154
Isothiazolone_derivative1_8
Isothiazolone_derivative1_8
Property
Value
Molecule Weight
178.21
Acceptor count
1
Donor count
0
XLOGP
1.7
Rotatable bond
1
Aromatic rings
1
Download 2D Structure
Download 3D Structure
28
-
-
-
19101154
Isothiazolone_derivative1_9
Isothiazolone_derivative1_9
Property
Value
Molecule Weight
178.21
Acceptor count
1
Donor count
0
XLOGP
1.3
Rotatable bond
1
Aromatic rings
1
Download 2D Structure
Download 3D Structure
14.4
-
-
-
19101154
Bisubstrate_inhibitor_1_H4K5CoA
Bisubstrate_inhibitor_1_H4K5CoA
Property
Value
Molecule Weight
2841.92
Acceptor count
77
Donor count
46
XLOGP
-20.09
Rotatable bond
147
Aromatic rings
3
Download 2D Structure
Download 3D Structure
2.88
-
-
-
19114310
Bisubstrate_inhibitor_2_H4K8CoA
Bisubstrate_inhibitor_2_H4K8CoA
Property
Value
Molecule Weight
2841.92
Acceptor count
77
Donor count
46
XLOGP
-20.09
Rotatable bond
147
Aromatic rings
3
Download 2D Structure
Download 3D Structure
8.15
-
-
-
19114310
Bisubstrate_inhibitor_3_H4K12CoA
Bisubstrate_inhibitor_3_H4K12CoA
Property
Value
Molecule Weight
2841.92
Acceptor count
77
Donor count
46
XLOGP
-20.09
Rotatable bond
147
Aromatic rings
3
Download 2D Structure
Download 3D Structure
4.35
-
-
-
19114310
Bisubstrate_inhibitor_4_H4K16CoA
Bisubstrate_inhibitor_4_H4K16CoA
Property
Value
Molecule Weight
2841.92
Acceptor count
77
Donor count
46
XLOGP
-20.09
Rotatable bond
147
Aromatic rings
3
Download 2D Structure
Download 3D Structure
6.62
-
-
-
19114310
Bisubstrate_inhibitor_5_H2AK5CoA
Bisubstrate_inhibitor_5_H2AK5CoA
Property
Value
Molecule Weight
3008.06
Acceptor count
86
Donor count
52
XLOGP
-23.78
Rotatable bond
159
Aromatic rings
2
Download 2D Structure
Download 3D Structure
17.35
-
-
-
19114310
Bisubstrate_inhibitor_6_H3K14CoA
Bisubstrate_inhibitor_6_H3K14CoA
Property
Value
Molecule Weight
3033.15
Acceptor count
82
Donor count
48
XLOGP
-20.85
Rotatable bond
158
Aromatic rings
2
Download 2D Structure
Download 3D Structure
7.54
-
-
-
19114310
Bisubstrate_inhibitor_7_LysCoA
Bisubstrate_inhibitor_7_LysCoA
Property
Value
Molecule Weight
994.81
Acceptor count
25
Donor count
12
XLOGP
-8.56
Rotatable bond
43
Aromatic rings
2
Download 2D Structure
Download 3D Structure
0.98
-
-
-
19114310
Bisubstrate_inhibitor_Anacardic acid
Bisubstrate_inhibitor_Anacardic acid
Property
Value
Molecule Weight
342.48
Acceptor count
3
Donor count
2
XLOGP
5.94
Rotatable bond
15
Aromatic rings
1
Download 2D Structure
Download 3D Structure
1000
-
-
-
19114310
Bisubstrate_inhibitor_CoASH
Bisubstrate_inhibitor_CoASH
Property
Value
Molecule Weight
1049.8
Acceptor count
26
Donor count
14
XLOGP
-10.15
Rotatable bond
43
Aromatic rings
3
Download 2D Structure
Download 3D Structure
45.94
-
-
-
19114310
Curcurmin
Curcurmin
Property
Value
Molecule Weight
368.39
Acceptor count
6
Donor count
2
XLOGP
3.44
Rotatable bond
12
Aromatic rings
2
Download 2D Structure
Download 3D Structure
40
-
-
-
19114310
4_hydroxyquinoline_derv_1
4_hydroxyquinoline_derv_1
Property
Value
Molecule Weight
231.25
Acceptor count
3
Donor count
1
XLOGP
2.82
Rotatable bond
6
Aromatic rings
2
Download 2D Structure
Download 3D Structure
ND
83.6 % inhibition at 50 µM
-
-
19144517
4_hydroxyquinoline_derv_2
4_hydroxyquinoline_derv_2
Property
Value
Molecule Weight
203.2
Acceptor count
3
Donor count
2
XLOGP
2.07
Rotatable bond
4
Aromatic rings
2
Download 2D Structure
Download 3D Structure
ND
88.6 % inhibition at 50 µM
-
-
19144517
4_hydroxyquinoline_derv_3
4_hydroxyquinoline_derv_3
Property
Value
Molecule Weight
287.36
Acceptor count
3
Donor count
1
XLOGP
4.59
Rotatable bond
10
Aromatic rings
2
Download 2D Structure
Download 3D Structure
ND
52.3 % inhibition at 50 µM
-
-
19144517
MC1823
MC1823
Property
Value
Molecule Weight
259.3
Acceptor count
3
Donor count
2
XLOGP
3.84
Rotatable bond
8
Aromatic rings
2
Download 2D Structure
Download 3D Structure
ND
18 % inhibition at 50 µM
-
-
19144517
4_hydroxyquinoline_derv_5
4_hydroxyquinoline_derv_5
Property
Value
Molecule Weight
357.49
Acceptor count
3
Donor count
1
XLOGP
6.84
Rotatable bond
15
Aromatic rings
2
Download 2D Structure
Download 3D Structure
ND
60.9 % inhibition at 50 µM
-
-
19144517
4_hydroxyquinoline_derv_6
4_hydroxyquinoline_derv_6
Property
Value
Molecule Weight
329.44
Acceptor count
3
Donor count
2
XLOGP
6.09
Rotatable bond
13
Aromatic rings
2
Download 2D Structure
Download 3D Structure
ND
46.1 % inhibition at 50 µM
-
-
19144517
4_hydroxyquinoline_derv_7
4_hydroxyquinoline_derv_7
Property
Value
Molecule Weight
427.63
Acceptor count
3
Donor count
1
XLOGP
9.09
Rotatable bond
20
Aromatic rings
2
Download 2D Structure
Download 3D Structure
ND
60.2 % inhibition at 50 µM
-
-
19144517
4_hydroxyquinoline_derv_8
4_hydroxyquinoline_derv_8
Property
Value
Molecule Weight
399.57
Acceptor count
3
Donor count
2
XLOGP
8.34
Rotatable bond
18
Aromatic rings
2
Download 2D Structure
Download 3D Structure
ND
53.1 % inhibition at 50 µM
-
-
19144517
Epigallocatechin_3_gallate
Epigallocatechin_3_gallate
Property
Value
Molecule Weight
458.38
Acceptor count
10
Donor count
8
XLOGP
2.76
Rotatable bond
12
Aromatic rings
3
Download 2D Structure
Download 3D Structure
30
-
-
constituent of green tea
19147572
GuttiferoneA
GuttiferoneA
Property
Value
Molecule Weight
588.78
Acceptor count
6
Donor count
3
XLOGP
6.15
Rotatable bond
22
Aromatic rings
1
Download 2D Structure
Download 3D Structure
ND
-
-
-
20373302
Nemorosone
Nemorosone
Property
Value
Molecule Weight
502.69
Acceptor count
4
Donor count
1
XLOGP
6.42
Rotatable bond
17
Aromatic rings
1
Download 2D Structure
Download 3D Structure
ND
-
-
-
20373302
GuttiferoneE
GuttiferoneE
Property
Value
Molecule Weight
670.93
Acceptor count
6
Donor count
3
XLOGP
7.82
Rotatable bond
27
Aromatic rings
1
Download 2D Structure
Download 3D Structure
ND
-
-
-
20373302
Clusianone
Clusianone
Property
Value
Molecule Weight
502.69
Acceptor count
4
Donor count
1
XLOGP
6.42
Rotatable bond
17
Aromatic rings
1
Download 2D Structure
Download 3D Structure
ND
-
-
-
20373302
Curcumin_analogue_19
Curcumin_analogue_19
Property
Value
Molecule Weight
464.15
Acceptor count
3
Donor count
2
XLOGP
5.71
Rotatable bond
4
Aromatic rings
2
Download 2D Structure
Download 3D Structure
5
-
-
compound is active in mammalian cells and leads to downregulation histone H3 acetylation of histone H3 acetylation
20493978
Anacardic_acid_analogue1_6
Anacardic_acid_analogue1_6
Property
Value
Molecule Weight
418.46
Acceptor count
7
Donor count
2
XLOGP
7.26
Rotatable bond
14
Aromatic rings
2
Download 2D Structure
Download 3D Structure
nd
-
-
cell-permeable inhibitors of p300
20493978
Anacardic_acid_analogue1_7
Anacardic_acid_analogue1_7
Property
Value
Molecule Weight
446.51
Acceptor count
7
Donor count
2
XLOGP
8.16
Rotatable bond
16
Aromatic rings
2
Download 2D Structure
Download 3D Structure
nd
-
-
cell-permeable inhibitors of p300
20493978
Lys_coenzme_derv_1
Lys_coenzme_derv_1
Property
Value
Molecule Weight
981.81
Acceptor count
24
Donor count
11
XLOGP
-4.08
Rotatable bond
43
Aromatic rings
2
Download 2D Structure
Download 3D Structure
3.6
-
-
-
21118378
Lys_coenzme_derv_2
Lys_coenzme_derv_2
Property
Value
Molecule Weight
995.83
Acceptor count
24
Donor count
11
XLOGP
-3.63
Rotatable bond
44
Aromatic rings
2
Download 2D Structure
Download 3D Structure
0.4
-
-
-
21118378
Lys_coenzme_derv_3
Lys_coenzme_derv_3
Property
Value
Molecule Weight
1009.86
Acceptor count
24
Donor count
11
XLOGP
-3.18
Rotatable bond
45
Aromatic rings
2
Download 2D Structure
Download 3D Structure
0.07
-
-
-
21118378
Lys_coenzme_derv_4
Lys_coenzme_derv_4
Property
Value
Molecule Weight
957.79
Acceptor count
22
Donor count
11
XLOGP
-3.56
Rotatable bond
38
Aromatic rings
3
Download 2D Structure
Download 3D Structure
0.7
-
-
-
21118378
Lys_coenzme_derv_5
Lys_coenzme_derv_5
Property
Value
Molecule Weight
971.81
Acceptor count
22
Donor count
11
XLOGP
-3.11
Rotatable bond
39
Aromatic rings
3
Download 2D Structure
Download 3D Structure
0.8
-
-
-
21118378
Lys_coenzme_derv_6
Lys_coenzme_derv_6
&nbsnbsp;
Property
Value
Molecule Weight
985.84
Acceptor count
22
Donor count
11
XLOGP
-2.66
Rotatable bond
40
Aromatic rings
3
Download 2D Structure
Download 3D Structure
0.3
-
-
-
21118378
Lys_coenzme_derv_7
Lys_coenzme_derv_7
Property
Value
Molecule Weight
881.69
Acceptor count
22
Donor count
11
XLOGP
-5.78
Rotatable bond
37
Aromatic rings
2
Download 2D Structure
Download 3D Structure
1.6
-
-
-
21118378
Lys_coenzme_derv_8
Lys_coenzme_derv_8
Property
Value
Molecule Weight
895.72
Acceptor count
22
Donor count
11
XLOGP
-5.33
Rotatable bond
38
Aromatic rings
2
Download 2D Structure
Download 3D Structure
0.2
-
-
-
21118378
Lys_coenzme_derv_9
Lys_coenzme_derv_9
Property
Value
Molecule Weight
909.74
Acceptor count
22
Donor count
11
XLOGP
-4.88
Rotatable bond
39
Aromatic rings
2
Download 2D Structure
Download 3D Structure
0.3
-
-
-
21118378
Lys_coenzme_derv_10
Lys_coenzme_derv_10
Property
Value
Molecule Weight
893.7
Acceptor count
20
Donor count
10
XLOGP
-5.98
Rotatable bond
33
Aromatic rings
2
Download 2D Structure
Download 3D Structure
20
-
-
-
21118378
Lys_coenzme_derv_11
Lys_coenzme_derv_11
&nbsnbsp;
Property
Value
Molecule Weight
993.82
Acceptor count
22
Donor count
9
XLOGP
-4.67
Rotatable bond
39
Aromatic rings
2
Download 2D Structure
Download 3D Structure
152
-
-
-
21118378
Lys_coenzme_derv_12
Lys_coenzme_derv_12
Property
Value
Molecule Weight
983.82
Acceptor count
20
Donor count
9
XLOGP
-3.94
Rotatable bond
35
Aromatic rings
3
Download 2D Structure
Download 3D Structure
28
-
-
-
21118378
Lys_coenzme_derv_13
Lys_coenzme_derv_13
Property
Value
Molecule Weight
914.72
Acceptor count
21
Donor count
10
XLOGP
-3.55
Rotatable bond
35
Aromatic rings
3
Download 2D Structure
Download 3D Structure
209
-
-
-
21118378
Inhibitor_a
Inhibitor_a
Property
Value
Molecule Weight
592.7
Acceptor count
4
Donor count
0
XLOGP
8.43
Rotatable bond
9
Aromatic rings
5
Download 2D Structure
Download 3D Structure
&nnbsp;
150
-
-
-
21186043
Prostaglandin_B2
Prostaglandin_B2
Property
Value
Molecule Weight
334.46
Acceptor count
4
Donor count
2
XLOGP
3.15
Rotatable bond
15
Aromatic rings
0
Download 2D Structure
Download 3D Structure
-
-
-
No inhibition
22141352
Prostaglandin_D2
Prostaglandin_D2
Property
Value
Molecule Weight
352.47
Acceptor count
5
Donor count
3
XLOGP
2.74
Rotatable bond
16
Aromatic rings
0
Download 2D Structure
Download 3D Structure
-
-
-
No inhibition
22141352
Prostaglandin_delta_J2
Prostaglandin_delta_J2
Property
Value
Molecule Weight
334.46
Acceptor count
4
Donor count
2
XLOGP
3.15
Rotatable bond
15
Aromatic rings
0
Download 2D Structure
Download 3D Structure
0.75
-
-
-
22141352
Prostaglandin_dihydro_D2
Prostaglandin_dihydro_D2
Property
Value
Molecule Weight
352.47
Acceptor count
5
Donor count
2
XLOGP
2.68
Rotatable bond
16
Aromatic rings
0
Download 2D Structure
Download 3D Structure
-
-
-
No inhibition
22141352
Prostaglandin_dihydro_J2
Prostaglandin_dihydro_J2
Property
Value
Molecule Weight
334.46
Acceptor count
4
Donor count
2
XLOGP
3.6
Rotatable bond
14
Aromatic rings
0
Download 2D Structure
Download 3D Structure
-
-
-
No inhibition
22141352
Prostaglandin_E2
Prostaglandin_E2
Property
Value
Molecule Weight
352.47
Acceptor count
5
Donor count
3
XLOGP
2.55
Rotatable bond
16
Aromatic rings
0
Download 2D Structure
Download 3D Structure
-
-
-
No inhibition
22141352
Prostaglandin_J2
Prostaglandin_J2
Property
Value
Molecule Weight
334.46
Acceptor count
4
Donor count
2
XLOGP
3.14
Rotatable bond
15
Aromatic rings
0
Download 2D Structure
Download 3D Structure
3
-
-
-
22141352
Prostaglandin_K2
Prostaglandin_K2
Property
Value
Molecule Weight
350.46
Acceptor count
5
Donor count
2
XLOGP
2.25
Rotatable bond
15
Aromatic rings
0
Download 2D Structure
Download 3D Structure
-
-
-
No inhibition
22141352
Lys_CoA
Lys_CoA
Property
Value
Molecule Weight
1008.83
Acceptor count
25
Donor count
12
XLOGP
-7.93
Rotatable bond
44
Aromatic rings
2
Download 2D Structure
Download 3D Structure
0.5
-
-
-
24300735
Bisubstrate_inhibitor_2
Bisubstrate_inhibitor_2
Property
Value
Molecule Weight
445.43
Acceptor count
6
Donor count
1
XLOGP
4.7
Rotatable bond
9
Aromatic rings
3
Download 2D Structure
Download 3D Structure
0.4
-
-
-
24300735
CPTH2
CPTH2
Property
Value
Molecule Weight
291.8
Acceptor count
2
Donor count
1
XLOGP
6.9
Rotatable bond
3
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
34 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_1a
Thiazolyl_hydrazone_derivative_1a
Property
Value
Molecule Weight
265.77
Acceptor count
2
Donor count
1
XLOGP
6.41
Rotatable bond
5
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
31 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_1aa
Thiazolyl_hydrazone_derivative_1aa
Property
Value
Molecule Weight
317.8
Acceptor count
2
Donor count
1
XLOGP
6.77
Rotatable bond
5
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
-
-
-
24835815
Thiazolyl_hydrazone_derivative_1b
Thiazolyl_hydrazone_derivative_1b
Property
Value
Molecule Weight
279.79
Acceptor count
2
Donor count
1
XLOGP
6.83
Rotatable bond
6
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
30 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_1bb
Thiazolyl_hydrazone_derivative_1bb
Property
Value
Molecule Weight
333.87
Acceptor count
2
Donor count
1
XLOGP
7.41
Rotatable bond
5
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
-
-
-
24835815
Thiazolyl_hydrazone_derivative_1c
Thiazolyl_hydrazone_derivative_1c
Property
Value
Molecule Weight
293.82
Acceptor count
2
Donor count
1
XLOGP
7.25
Rotatable bond
7
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
30 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_1cc
Thiazolyl_hydrazone_derivative_1cc
Property
Value
Molecule Weight
316.81
Acceptor count
2
Donor count
2
XLOGP
6.92
Rotatable bond
5
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
46 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_1d
Thiazolyl_hydrazone_derivative_1d
Property
Value
Molecule Weight
293.82
Acceptor count
2
Donor count
1
XLOGP
7.28
Rotatable bond
7
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
20 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_1dd
Thiazolyl_hydrazone_derivative_1dd
Property
Value
Molecule Weight
328.82
Acceptor count
2
Donor count
1
XLOGP
6.65
Rotatable bond
5
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
51 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_1e
Thiazolyl_hydrazone_derivative_1e
Property
Value
Molecule Weight
307.85
Acceptor count
2
Donor count
1
XLOGP
7.55
Rotatable bond
8
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
20 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_1ee
Thiazolyl_hydrazone_derivative_1ee
Property
Value
Molecule Weight
328.82
Acceptor count
2
Donor count
1
XLOGP
6.73
Rotatable bond
5
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
20 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_1f
Thiazolyl_hydrazone_derivative_1f
Property
Value
Molecule Weight
305.83
Acceptor count
2
Donor count
1
XLOGP
7.08
Rotatable bond
7
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
30 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_1ff
Thiazolyl_hydrazone_derivative_1ff
Property
Value
Molecule Weight
328.82
Acceptor count
2
Donor count
1
nbsp;
XLOGP
6.73
Rotatable bond
5
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
30 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_1g
Thiazolyl_hydrazone_derivative_1g
Property
Value
Molecule Weight
307.85
Acceptor count
2
Donor count
1
XLOGP
7.73
Rotatable bond
8
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
20 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_1gg
Thiazolyl_hydrazone_derivative_1gg
Property
Value
Molecule Weight
333.88
Acceptor count
2
Donor count
1
XLOGP
8.26
Rotatable bond
5
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
20 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_1h
Thiazolyl_hydrazone_derivative_1h
Property
Value
Molecule Weight
321.87
Acceptor count
2
Donor count
1
XLOGP
8.18
Rotatable bond
9
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
20 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_1hh
Thiazolyl_hydrazone_derivative_1hh
Property
Value
Molecule Weight
377.9
Acceptor count
2
Donor count
1
XLOGP
9.33
Rotatable bond
5
Aromatic rings
4
Download 2D Structure
Download 3D Structure
-
20 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_1i
Thiazolyl_hydrazone_derivative_1i
Property
Value
Molecule Weight
335.9
Acceptor count
2
Donor count
1
XLOGP
8.63
Rotatable bond
10
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
20 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_1ii
Thiazolyl_hydrazone_derivative_1ii
Property
Value
Molecule Weight
439.97
Acceptor count
3
Donor count
1
XLOGP
7.49
Rotatable bond
8
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
62 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_1j
Thiazolyl_hydrazone_derivative_1j
Property
Value
Molecule Weight
319.86
Acceptor count
2
Donor count
1
XLOGP
7.91
Rotatable bond
5
Aromatic rings
2
Download 2D Structure
&nbsnbsp;
Download 3D Structure
-
30 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_1jj
Thiazolyl_hydrazone_derivative_1jj
Property
Value
Molecule Weight
457.98
Acceptor count
3
Donor count
1
XLOGP
9.73
Rotatable bond
7
Aromatic rings
4
Download 2D Structure
Download 3D Structure
-
30 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_1k
Thiazolyl_hydrazone_derivative_1k
Property
Value
Molecule Weight
319.86
Acceptor count
2
Donor count
1
XLOGP
8.09
Rotatable bond
4
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
30 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_1l
Thiazolyl_hydrazone_derivative_1l
Property
Value
Molecule Weight
333.88
Acceptor count
2
Donor count
1
XLOGP
8.36
Rotatable bond
5
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
30 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_1m
Thiazolyl_hydrazone_derivative_1m
Property
Value
Molecule Weight
333.88
Acceptor count
2
Donor count
1
XLOGP
8.36
Rotatable bond
5
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
20 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_R_derv_1n
Thiazolyl_hydrazone_derivative_R_derv_1n
Property
Value
Molecule Weight
333.88
Acceptor count
2
Donor count
1
XLOGP
8.36
Rotatable bond
5
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
30 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_1o
Thiazolyl_hydrazone_derivative_1o
Property
Value
Molecule Weight
333.88
Acceptor count
2
Donor count
1
XLOGP
8.36
Rotatable bond
5
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
20 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_1p
Thiazolyl_hydrazone_derivative_1p
Property
Value
Molecule Weight
345.9
Acceptor count
2
Donor count
1
XLOGP
7.83
Rotatable bond
6
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
20 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_1q
Thiazolyl_hydrazone_derivative_1q
Property
Value
Molecule Weight
333.88
Acceptor count
2
Donor count
1
XLOGP
8.54
Rotatable bond
4
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
30 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_1r
Thiazolyl_hydrazone_derivative_1r
Property
Value
Molecule Weight
347.91
Acceptor count
2
Donor count
1
XLOGP
8.99
Rotatable bond
4
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
20 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_1s
Thiazolyl_hydrazone_derivative_1s
Property
Value
Molecule Weight
303.77
Acceptor count
2
Donor count
1
XLOGP
6.6
Rotatable bond
4
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
20 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_1t
Thiazolyl_hydrazone_derivative_1t
Property
Value
Molecule Weight
319.84
Acceptor count
2
Donor count
1
XLOGP
7.23
Rotatable bond
4
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
20 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_1u
Thiazolyl_hydrazone_derivative_1u
Property
Value
Molecule Weight
314.8
Acceptor count
2
Donor count
1
XLOGP
6.56
Rotatable bond
4
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
30 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_1v
Thiazolyl_hydrazone_derivative_1v
Property
Value
Molecule Weight
314.8
Acceptor count
2
Donor count
1
XLOGP
6.56
Rotatable bond
4
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
30 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_1w
Thiazolyl_hydrazone_derivative_1w
Property
Value
Molecule Weight
363.87
Acceptor count
2
Donor count
1
XLOGP
9.16
Rotatable bond
4
Aromatic rings
4
Download 2D Structure
Download 3D Structure
-
20 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_1x
Thiazolyl_hydrazone_derivative_1x
Property
Value
Molecule Weight
352.85
Acceptor count
2
Donor count
2
XLOGP
7.94
Rotatable bond
4
Aromatic rings
4
Download 2D Structure
Download 3D Structure
-
61 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_1y
Thiazolyl_hydrazone_derivative_1y
Property
Value
Molecule Weight
357.82
Acceptor count
2
Donor count
1
XLOGP
7.54
Rotatable bond
4
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
20 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_1z
Thiazolyl_hydrazone_derivative_1z
Property
Value
Molecule Weight
327.84
Acceptor count
2
Donor count
1
XLOGP
8.04
Rotatable bond
5
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
20 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_2a
Thiazolyl_hydrazone_derivative_2a
Property
Value
Molecule Weight
169.25
Acceptor count
2
Donor count
1
XLOGP
4.16
Rotatable bond
5
Aromatic rings
1
Download 2D Structure
Download 3D Structure
-
20 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_2aa
Thiazolyl_hydrazone_derivative_2aa
Property
Value
Molecule Weight
300.21
Acceptor count
2
Donor count
1
XLOGP
7.03
Rotatable bond
5
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
30 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_2b
Thiazolyl_hydrazone_derivative_2b
Property
Value
Molecule Weight
195.29
Acceptor count
2
Donor count
1
XLOGP
4.65
Rotatable bond
3
Aromatic rings
1
Download 2D Structure
nbsp;
Download 3D Structure
-
20 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_2bb
Thiazolyl_hydrazone_derivative_2bb
Property
Value
Molecule Weight
326.25
Acceptor count
2
Donor count
1
XLOGP
7.52
Rotatable bond
3
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
30 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_2c
Thiazolyl_hydrazone_derivative_2c
Property
Value
Molecule Weight
227.29
Acceptor count
4
Donor count
1
XLOGP
4.2
Rotatable bond
8
Aromatic rings
1
Download 2D Structure
Download 3D Structure
-
30 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_2cc
Thiazolyl_hydrazone_derivative_2cc
Property
Value
Molecule Weight
307.37
Acceptor count
4
Donor count
1
XLOGP
6.76
Rotatable bond
4
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
20 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_2d
Thiazolyl_hydrazone_derivative_2d
Property
Value
Molecule Weight
253.33
Acceptor count
4
Donor count
1
XLOGP
4.69
Rotatable bond
6
Aromatic rings
1
Download 2D Structure
Download 3D Structure
-
20 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_2dd
Thiazolyl_hydrazone_derivative_2dd
Property
Value
Molecule Weight
307.42
Acceptor count
2
Donor count
1
XLOGP
7.7
Rotatable bond
6
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
30 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_2e
Thiazolyl_hydrazone_derivative_2e
Property
Value
Molecule Weight
267.35
Acceptor count
4
Donor count
1
XLOGP
4.96
Rotatable bond
7
Aromatic rings
1
Download 2D Structure
Download 3D Structure
-
30 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_2ee
Thiazolyl_hydrazone_derivative_2ee
Property
Value
Molecule Weight
281.38
Acceptor count
2
Donor count
1
XLOGP
7.08
Rotatable bond
5
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
30 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_2f
Thiazolyl_hydrazone_derivative_2f
Property
Value
Molecule Weight
231.32
Acceptor count
2
Donor count
1
XLOGP
5.79
Rotatable bond
5
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
20 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_2ff
Thiazolyl_hydrazone_derivative_2ff
Property
Value
Molecule Weight
307.42
Acceptor count
2
Donor count
1
XLOGP
7.57
Rotatable bond
3
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
20 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_2g
Thiazolyl_hydrazone_derivative_2g
Property
Value
Molecule Weight
347.48
Acceptor count
2
Donor count
1
XLOGP
8.94
Rotatable bond
5
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
37 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_2gg
Thiazolyl_hydrazone_derivative_2gg
Property
Value
Molecule Weight
321.45
Acceptor count
2
Donor count
1
XLOGP
7.84
Rotatable bond
4
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
20 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_2h
Thiazolyl_hydrazone_derivative_2h
Property
Value
Molecule Weight
308.41
Acceptor count
2
Donor count
1
XLOGP
6.4
Rotatable bond
6
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
33 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_2hh
Thiazolyl_hydrazone_derivative_2hh
Property
Value
Molecule Weight
375.45
Acceptor count
3
Donor count
1
XLOGP
7.67
Rotatable bond
6
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
32 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_2i
Thiazolyl_hydrazone_derivative_2i
Property
Value
Molecule Weight
348.47
Acceptor count
2
Donor count
1
XLOGP
7.63
Rotatable bond
5
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
44 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_2ii
Thiazolyl_hydrazone_derivative_2ii
Property
Value
Molecule Weight
353.44
Acceptor count
3
Donor count
1
XLOGP
6.64
Rotatable bond
5
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
40 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_2j
Thiazolyl_hydrazone_derivative_2j
Property
Value
Molecule Weight
261.35
Acceptor count
3
Donor count
1
XLOGP
5.76
Rotatable bond
7
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
30 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_2k
Thiazolyl_hydrazone_derivative_2k
Property
Value
Molecule Weight
365.5
Acceptor count
2
Donor count
1
XLOGP
0
Rotatable bond
6
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
31 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_2l
Thiazolyl_hydrazone_derivative_2l
Property
Value
Molecule Weight
249.31
Acceptor count
3
Donor count
1
XLOGP
5.89
Rotatable bond
5
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
30 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_2m
Thiazolyl_hydrazone_derivative_2m
Property
Value
Molecule Weight
353.46
Acceptor count
3
Donor count
1
XLOGP
9.81
Rotatable bond
8
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
34 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_2n
Thiazolyl_hydrazone_derivative_2n
Property
Value
Molecule Weight
289.38
Acceptor count
3
Donor count
1
XLOGP
6.65
Rotatable bond
4
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
20 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_2o
Thiazolyl_hydrazone_derivative_2o
Property
Value
Molecule Weight
374.3
Acceptor count
2
Donor count
1
XLOGP
9.27
Rotatable bond
9
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
42 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_2p
Thiazolyl_hydrazone_derivative_2p
Property
Value
Molecule Weight
261.35
Acceptor count
3
Donor count
1
XLOGP
5.76
Rotatable bond
7
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
30 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_2q
Thiazolyl_hydrazone_derivative_2q
Property
Value
Molecule Weight
426.38
Acceptor count
2
Donor count
1
XLOGP
8.72
Rotatable bond
5
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
33 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_2r
Thiazolyl_hydrazone_derivative_2r
Property
Value
Molecule Weight
301.41
Acceptor count
3
Donor count
1
XLOGP
6.67
Rotatable bond
6
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
30 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_2s
Thiazolyl_hydrazone_derivative_2s
Property
Value
Molecule Weight
301.41
Acceptor count
3
Donor count
1
XLOGP
6.51
Rotatable bond
6
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
30 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_2t
Thiazolyl_hydrazone_derivative_2t
Property
Value
Molecule Weight
301.41
Acceptor count
3
Donor count
1
XLOGP
6.7
Rotatable bond
5
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
30 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_2u
Thiazolyl_hydrazone_derivative_2u
Property
Value
Molecule Weight
315.44
Acceptor count
3
Donor count
1
XLOGP
7.12
Rotatable bond
6
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
30 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_2v
Thiazolyl_hydrazone_derivative_2v
Property
Value
Molecule Weight
315.44
Acceptor count
3
Donor count
1
XLOGP
6.96
Rotatable bond
6
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
20 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_2x
Thiazolyl_hydrazone_derivative_2x
Property
Value
Molecule Weight
315.44
Acceptor count
3
Donor count
1
XLOGP
6.96
Rotatable bond
6
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
20 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_2y
Thiazolyl_hydrazone_derivative_2y
Property
Value
Molecule Weight
315.44
Acceptor count
3
Donor count
1
XLOGP
7.15
Rotatable bond
5
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
20 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_2z
Thiazolyl_hydrazone_derivative_2z
Property
Value
Molecule Weight
296.4
Acceptor count
3
Donor count
1
XLOGP
6.27
Rotatable bond
5
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
30 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_3a
Thiazolyl_hydrazone_derivative_3a
Property
Value
Molecule Weight
245.35
Acceptor count
2
Donor count
1
XLOGP
6.11
Rotatable bond
6
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
30 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_3b
Thiazolyl_hydrazone_derivative_3b
Property
Value
Molecule Weight
271.39
Acceptor count
2
Donor count
1
XLOGP
6.6
Rotatable bond
4
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
20 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_3c
Thiazolyl_hydrazone_derivative_3c
Property
Value
Molecule Weight
285.41
Acceptor count
2
Donor count
1
XLOGP
6.87
Rotatable bond
5
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
20 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_4a
Thiazolyl_hydrazone_derivative_4a
Property
Value
Molecule Weight
191.26
Acceptor count
2
Donor count
2
XLOGP
4.58
Rotatable bond
3
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
20 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_4b
Thiazolyl_hydrazone_derivative_4b
Property
Value
Molecule Weight
176.24
Acceptor count
1
Donor count
1
XLOGP
3.66
Rotatable bond
2
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
20 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_4c
Thiazolyl_hydrazone_derivative_4c
Property
Value
Molecule Weight
210.69
Acceptor count
1
Donor count
1
XLOGP
4.28
Rotatable bond
2
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
30 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_5a
Thiazolyl_hydrazone_derivative_5a
Property
Value
Molecule Weight
173.24
Acceptor count
3
Donor count
2
XLOGP
3.71
Rotatable bond
4
Aromatic rings
0
Download 2D Structure
Download 3D Structure
-
30 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_5b
Thiazolyl_hydrazone_derivative_5b
Property
Value
Molecule Weight
199.28
Acceptor count
3
Donor count
2
XLOGP
4.2
Rotatable bond
2
Aromatic rings
0
Download 2D Structure
Download 3D Structure
-
20 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_6a
Thiazolyl_hydrazone_derivative_6a
Property
Value
Molecule Weight
224.31
Acceptor count
2
Donor count
1
XLOGP
5.25
Rotatable bond
5
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
20 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_6b
Thiazolyl_hydrazone_derivative_6b
Property
Value
Molecule Weight
269.3
Acceptor count
5
Donor count
1
XLOGP
5.13
Rotatable bond
6
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
20 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_6c
Thiazolyl_hydrazone_derivative_6c
Property
Value
Molecule Weight
258.75
Acceptor count
2
Donor count
1
XLOGP
5.87
Rotatable bond
5
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
20 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_6d
Thiazolyl_hydrazone_derivative_6d
Property
Value
Molecule Weight
303.2
Acceptor count
2
Donor count
1
XLOGP
6.05
Rotatable bond
5
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
20 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_6e
Thiazolyl_hydrazone_derivative_6e
Property
Value
Molecule Weight
250.34
Acceptor count
2
Donor count
1
XLOGP
5.74
Rotatable bond
3
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
20 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_6f
Thiazolyl_hydrazone_derivative_6f
Property
Value
Molecule Weight
295.34
Acceptor count
5
Donor count
1
XLOGP
5.62
Rotatable bond
4
Aromatic rings
2
Download 2D Structure
 nbsp;
Download 3D Structure
-
20 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_6g
Thiazolyl_hydrazone_derivative_6g
Property
Value
Molecule Weight
316.79
Acceptor count
3
Donor count
2
XLOGP
4.87
Rotatable bond
4
Aromatic rings
1
Download 2D Structure
Download 3D Structure
-
31 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_6h
Thiazolyl_hydrazone_derivative_6h
Property
Value
Molecule Weight
329.24
Acceptor count
2
Donor count
1
XLOGP
6.54
Rotatable bond
3
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
20 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_6i
Thiazolyl_hydrazone_derivative_6i
Property
Value
Molecule Weight
264.37
Acceptor count
2
Donor count
1
XLOGP
6.01
Rotatable bond
4
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
20 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_6j
Thiazolyl_hydrazone_derivative_6j
Property
Value
Molecule Weight
309.37
Acceptor count
5
Donor count
1
XLOGP
5.89
Rotatable bond
5
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
20 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_6k
Thiazolyl_hydrazone_derivative_6k
Property
Value
Molecule Weight
330.82
Acceptor count
3
Donor count
2
XLOGP
5.14
Rotatable bond
5
Aromatic rings
1
Download 2D Structure
Download 3D Structure
-
41 % inhibition at 100 µM
-
-
24835815
Thiazolyl_hydrazone_derivative_6l
Thiazolyl_hydrazone_derivative_6l
Property
Value
Molecule Weight
343.27
Acceptor count
2
Donor count
1
XLOGP
6.81
Rotatable bond
4
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
20 % inhibition at 100 µM
-
-
24835815
PCAF
PCAF
Click to Expand
total 164 compounds
Ligand Name
IC
50
(µM)
Inhibition
Ki
Comments
PubMed ID
KAT2B_1
KAT2B_1
Property
Value
Molecule Weight
257.72
Acceptor count
5
Donor count
2
XLOGP
2.3
nbsp;
Rotatable bond
8
Aromatic rings
1
Download 2D Structure
Download 3D Structure
1
-
-
-
17444627
CoASH
CoASH
Property
Value
Molecule Weight
781.57
Acceptor count
19
Donor count
9
XLOGP
-6.37
Rotatable bond
31
Aromatic rings
2
Download 2D Structure
Download 3D Structure
20
-
-
-
10882143
H3CoA20
H3CoA20
Property
Value
Molecule Weight
3163.32
Acceptor count
86
Donor count
50
XLOGP
-18.16
Rotatable bond
164
Aromatic rings
2
Download 2D Structure
Download 3D Structure
0.75
-
-
-
12391296
H3CoA7
H3CoA7
Property
Value
Molecule Weight
1693.61
Acceptor count
45
Donor count
23
XLOGP
-11.29
Rotatable bond
78
Aromatic rings
2
Download 2D Structure
Download 3D Structure
20
-
-
-
10882143
H4CoA20
H4CoA20
&nbnbsp;
Property
Value
Molecule Weight
2891.96
Acceptor count
82
Donor count
47
XLOGP
-19.63
Rotatable bond
150
Aromatic rings
2
Download 2D Structure
Download 3D Structure
10
-
-
-
10882143
Lys_CoA
Lys_CoA
Property
Value
Molecule Weight
1008.83
Acceptor count
25
Donor count
12
XLOGP
-7.93
Rotatable bond
44
Aromatic rings
2
Download 2D Structure
Download 3D Structure
200
-
-
-
10882143
H3CoA20
H3CoA20
Property
Value
Molecule Weight
3163.32
Acceptor count
86
Donor count
50
XLOGP
-18.16
Rotatable bond
164
Aromatic rings
2
Download 2D Structure
Download 3D Structure
0.75
-
-
-
12391296
H3_Me_CoA20
H3_Me_CoA20
Property
Value
Molecule Weight
3177.34
Acceptor count
86
Donor count
50
XLOGP
-17.65
Rotatable bond
165
Aromatic rings
2
Download 2D Structure
Download 3D Structure
0.36
-
-
-
12391296
H3_Me_CoA7
H3_Me_CoA7
Property
Value
Molecule Weight
1707.64
Acceptor count
45
Donor count
23
XLOGP
-10.78
Rotatable bond
79
Aromatic rings
2
Download 2D Structure
Download 3D Structure
5
-
-
-
12391296
H3_Me_CoA20
H3_Me_CoA20
Property
Value
Molecule Weight
3177.34
Acceptor count
86
Donor count
50
XLOGP
-17.65
Rotatable bond
165
Aromatic rings
2
Download 2D Structure
Download 3D Structure
0.36
-
-
-
12391296
H3_Me_CoA20
H3_Me_CoA20
Property
Value
Molecule Weight
3177.34
Acceptor count
86
Donor count
50
XLOGP
-17.65
Rotatable bond
165
Aromatic rings
2
Download 2D Structure
Download 3D Structure
0.36
-
-
-
12391296
Anacardic_acid
Anacardic_acid
Property
Value
Molecule Weight
342.48
Acceptor count
3
Donor count
2
XLOGP
5.94
Rotatable bond
15
Aromatic rings
1
Download 2D Structure
Download 3D Structure
5
-
-
-
12624111
CCT004463
CCT004463
Property
Value
Molecule Weight
233.29
Acceptor count
2
Donor count
0
XLOGP
2.88
Rotatable bond
4
Aromatic rings
1
Download 2D Structure
Download 3D Structure
2.5
-
-
-
16227401
CCT004464
CCT004464
Property
Value
Molecule Weight
231.2
Acceptor count
4
Donor count
0
XLOGP
2.91
Rotatable bond
1
Aromatic rings
1
Download 2D Structure
Download 3D Structure
3.1
-
-
-
19101154
CCT004465
CCT004465
Property
Value
Molecule Weight
229.66
Acceptor count
2
Donor count
0
XLOGP
3.33
Rotatable bond
1
Aromatic rings
1
Download 2D Structure
Download 3D Structure
2.8
-
-
-
16227401
CCT004466
CCT004466
Property
Value
Molecule Weight
229.66
Acceptor count
2
Donor count
0
XLOGP
3.33
Rotatable bond
1
Aromatic rings
1
Download 2D Structure
Download 3D Structure
5.4
-
-
-
19101154
CCT004467
CCT004467
Property
Value
Molecule Weight
308.56
Acceptor count
2
Donor count
0
XLOGP
4.12
Rotatable bond
1
Aromatic rings
1
Download 2D Structure
Download 3D Structure
12.4
-
-
-
16227401
CCT077791
CCT077791
Property
Value
Molecule Weight
256.67
Acceptor count
4
Donor count
0
XLOGP
3.5
Rotatable bond
2
Aromatic rings
1
Download 2D Structure
Download 3D Structure
7.3
-
-
-
16227401
CCT077792
CCT077792
Property
Value
Molecule Weight
255.72
Acceptor count
2
Donor count
0
XLOGP
3.52
Rotatable bond
4
Aromatic rings
1
Download 2D Structure
Download 3D Structure
15
-
-
-
16227401
CCT077796
CCT077796
Property
Value
Molecule Weight
163.63
Acceptor count
1
Donor count
0
XLOGP
2.43
Rotatable bond
2
Aromatic rings
0
Download 2D Structure
Download 3D Structure
18.7
-
-
-
16227401
CCT079769
CCT079769
Property
Value
Molecule Weight
129.18
Acceptor count
1
Donor count
0
XLOGP
1.4
Rotatable bond
2
Aromatic rings
0
Download 2D Structure
Download 3D Structure
54.7
-
-
-
16227401
Isothiazolone_derv_1
Isothiazolone_derv_1
Property
Value
Molecule Weight
222.22
Acceptor count
4
Donor count
0
XLOGP
2.48
Rotatable bond
2
Aromatic rings
1
Download 2D Structure
Download 3D Structure
14.4
-
-
-
16227401
Isothiazolone_derv_10
Isothiazolone_derv_10
Property
Value
Molecule Weight
211.67
Acceptor count
1
Donor count
0
XLOGP
3.22
Rotatable bond
1
Aromatic rings
1
Download 2D Structure
Download 3D Structure
7.3
-
-
-
16227401
Isothiazolone_derv_11
Isothiazolone_derv_11
Property
Value
Molecule Weight
246.12
Acceptor count
1
Donor count
0
XLOGP
3.84
Rotatable bond
1
Aromatic rings
1
Download 2D Structure
Download 3D Structure
10.2
-
-
-
16227401
Isothiazolone_derv_12
Isothiazolone_derv_12
Property
Value
Molecule Weight
280.56
Acceptor count
1
Donor count
0
XLOGP
4.86
Rotatable bond
1
Aromatic rings
1
Download 2D Structure
Download 3D Structure
31.1
-
-
-
16227401
Isothiazolone_derv_13
Isothiazolone_derv_13
Property
Value
Molecule Weight
246.12
Acceptor count
1
Donor count
0
XLOGP
3.84
Rotatable bond
1
Aromatic rings
1
Download 2D Structure
Download 3D Structure
11
-
-
-
16227401
Isothiazolone_derv_14
Isothiazolone_derv_14
Property
Value
Molecule Weight
246.12
Acceptor count
1
Donor count
0
XLOGP
3.84
Rotatable bond
1
Aromatic rings
1
Download 2D Structure
Download 3D Structure
7.6
-
-
-
16227401
Isothiazolone_derv_15
Isothiazolone_derv_15
Property
Value
Molecule Weight
191.25
Acceptor count
1
Donor count
0
XLOGP
2.89
Rotatable bond
2
Aromatic rings
1
Download 2D Structure
Download 3D Structure
17.1
-
-
-
16227401
Isothiazolone_derv_16
Isothiazolone_derv_16
Property
Value
Molecule Weight
191.25
Acceptor count
1
Donor count
0
XLOGP
2.89
Rotatable bond
2
Aromatic rings
1
Download 2D Structure
Download 3D Structure
11
-
-
-
16227401
Isothiazolone_derv_17
Isothiazolone_derv_17
Property
Value
Molecule Weight
191.25
Acceptor count
1
Donor count
0
XLOGP
2.89
Rotatable bond
2
Aromatic rings
1
Download 2D Structure
Download 3D Structure
8.4
-
-
-
16227401
Isothiazolone_derv_18
Isothiazolone_derv_18
Property
Value
Molecule Weight
249.29
Acceptor count
3
Donor count
0
XLOGP
2.93
Rotatable bond
5
Aromatic rings
1
Download 2D Structure
Download 3D Structure
18.3
-
-
-
16227401
Isothiazolone_derv_19
Isothiazolone_derv_19
Property
Value
Molecule Weight
249.29
Acceptor count
3
Donor count
0
XLOGP
2.93
Rotatable bond
5
Aromatic rings
1
Download 2D Structure
Download 3D Structure
5
-
-
-
16227401
Isothiazolone_derv_2
Isothiazolone_derv_2
Property
Value
Molecule Weight
222.22
Acceptor count
4
Donor count
0
XLOGP
2.48
Rotatable bond
2
Aromatic rings
1
Download 2D Structure
Download 3D Structure
9.2
-
-
-
16227401
Isothiazolone_derv_20
Isothiazolone_derv_20
Property
Value
Molecule Weight
249.29
Acceptor count
3
Donor count
0
XLOGP
2.93
Rotatable bond
5
Aromatic rings
1
Download 2D Structure
Download 3D Structure
6.6
-
-
-
16227401
Isothiazolone_derv_21
Isothiazolone_derv_21
Property
Value
Molecule Weight
245.22
Acceptor count
4
Donor count
0
XLOGP
3.6
Rotatable bond
2
Aromatic rings
1
Download 2D Structure
Download 3D Structure
10.2
-
-
-
16227401
Isothiazolone_derv_22
Isothiazolone_derv_22
Property
Value
Molecule Weight
245.22
Acceptor count
4
Donor count
0
XLOGP
3.6
Rotatable bond
2
Aromatic rings
1
Download 2D Structure
Download 3D Structure
11
-
-
-
16227401
Isothiazolone_derv_23
Isothiazolone_derv_23
Property
Value
Molecule Weight
279.67
Acceptor count
4
Donor count
0
XLOGP
4.62
Rotatable bond
2
Aromatic rings
1
Download 2D Structure
Download 3D Structure
6.5
-
-
-
16227401
Isothiazolone_derv_24
Isothiazolone_derv_24
Property
Value
Molecule Weight
263.22
Acceptor count
5
Donor count
0
XLOGP
3.7
Rotatable bond
2
Aromatic rings
1
Download 2D Structure
Download 3D Structure
8.7
-
-
-
16227401
Isothiazolone_derv_25
Isothiazolone_derv_25
Property
Value
Molecule Weight
297.66
Acceptor count
5
Donor count
0
XLOGP
4.72
Rotatable bond
2
Aromatic rings
1
Download 2D Structure
Download 3D Structure
5.4
-
-
-
16227401
Isothiazolone_derv_26
Isothiazolone_derv_26
Property
Value
Molecule Weight
225.7
Acceptor count
1
Donor count
0
XLOGP
3.5
Rotatable bond
2
Aromatic rings
1
Download 2D Structure
Download 3D Structure
8.1
-
-
-
16227401
Isothiazolone_derv_27
Isothiazolone_derv_27
Property
Value
Molecule Weight
269.32
Acceptor count
2
Donor count
0
XLOGP
4.18
Rotatable bond
3
Aromatic rings
2
Download 2D Structure
Download 3D Structure
12.6
-
-
-
16227401
Isothiazolone_derv_28
Isothiazolone_derv_28
Property
Value
Molecule Weight
143.21
Acceptor count
1
Donor count
0
XLOGP
1.91
Rotatable bond
3
Aromatic rings
0
Download 2D Structure
Download 3D Structure
50
-
-
-
16227401
Isothiazolone_derv_29
Isothiazolone_derv_29
Property
Value
Molecule Weight
141.19
Acceptor count
1
Donor count
0
XLOGP
1.56
Rotatable bond
1
Aromatic rings
0
Download 2D Structure
Download 3D Structure
29.5
-
-
-
16227401
Isothiazolone_derv_3
Isothiazolone_derv_3
Property
Value
Molecule Weight
222.22
Acceptor count
4
Donor count
0
XLOGP
2.48
Rotatable bond
2
Aromatic rings
1
Download 2D Structure
Download 3D Structure
9.6
-
-
-
16227401
Isothiazolone_derv_30
Isothiazolone_derv_30
Property
Value
Molecule Weight
191.25
Acceptor count
1
Donor count
0
XLOGP
2.72
Rotatable bond
2
Aromatic rings
1
Download 2D Structure
Download 3D Structure
13.5
-
-
-
16227401
Isothiazolone_derv_31
Isothiazolone_derv_31
Property
Value
Molecule Weight
129.18
Acceptor count
1
Donor count
0
XLOGP
1.4
Rotatable bond
2
Aromatic rings
0
Download 2D Structure
Download 3D Structure
44.6
-
-
-
16227401
Isothiazolone_derv_32
Isothiazolone_derv_32
Property
Value
Molecule Weight
163.63
Acceptor count
1
Donor count
0
XLOGP
2.43
Rotatable bond
2
Aromatic rings
0
Download 2D Structure
Download 3D Structure
18.7
-
-
-
16227401
Isothiazolone_derv_33
Isothiazolone_derv_33
Property
Value
Molecule Weight
241.4
Acceptor count
1
Donor count
0
XLOGP
5
Rotatable bond
10
Aromatic rings
0
Download 2D Structure
Download 3D Structure
10.6
-
-
-
16227401
Isothiazolone_derv_34
Isothiazolone_derv_34
Property
Value
Molecule Weight
221.28
Acceptor count
2
Donor count
0
XLOGP
2.5
Rotatable bond
4
Aromatic rings
1
Download 2D Structure
Download 3D Structure
15
-
-
-
16227401
Isothiazolone_derv_35
Isothiazolone_derv_35
Property
Value
Molecule Weight
255.72
Acceptor count
2
Donor count
0
XLOGP
3.52
Rotatable bond
4
Aromatic rings
1
Download 2D Structure
Download 3D Structure
25
-
-
-
16227401
Isothiazolone_derv_4
Isothiazolone_derv_4
Property
Value
Molecule Weight
256.67
Acceptor count
4
Donor count
0
XLOGP
3.5
Rotatable bond
2
Aromatic rings
1
Download 2D Structure
Download 3D Structure
7.3
-
-
-
16227401
Isothiazolone_derv_5
Isothiazolone_derv_5
Property
Value
Molecule Weight
256.67
Acceptor count
4
Donor count
0
XLOGP
3.1
Rotatable bond
2
Aromatic rings
1
Download 2D Structure
Download 3D Structure
1.1
-
-
-
16227401
Isothiazolone_derv_6
Isothiazolone_derv_6
Property
Value
Molecule Weight
207.25
Acceptor count
2
Donor count
0
XLOGP
2.57
Rotatable bond
3
Aromatic rings
1
Download 2D Structure
Download 3D Structure
100
-
-
-
16227401
Isothiazolone_derv_7
Isothiazolone_derv_7
Property
Value
Molecule Weight
207.25
Acceptor count
2
Donor count
0
XLOGP
2.57
Rotatable bond
3
Aromatic rings
1
Download 2D Structure
Download 3D Structure
11
-
-
-
16227401
Isothiazolone_derv_8
Isothiazolone_derv_8
Property
Value
Molecule Weight
211.67
Acceptor count
1
Donor count
0
XLOGP
3.22
Rotatable bond
1
Aromatic rings
1
Download 2D Structure
Download 3D Structure
9.1
-
-
-
16227401
Isothiazolone_derv_9
Isothiazolone_derv_9
Property
Value
Molecule Weight
211.67
Acceptor count
1
Donor count
0
XLOGP
3.22
Rotatable bond
1
Aromatic rings
1
Download 2D Structure
Download 3D Structure
7.8
-
-
-
16227401
Garcinol
Garcinol
Property
Value
Molecule Weight
602.81
Acceptor count
6
Donor count
3
XLOGP
6.92
Rotatable bond
23
Aromatic rings
1
Download 2D Structure
Download 3D Structure
5
-
-
-
17584612
Isogarcinol
Isogarcinol
Property
Value
Molecule Weight
602.81
Acceptor count
5
Donor count
2
XLOGP
6.65
Rotatable bond
20
Aromatic rings
1
Download 2D Structure
Download 3D Structure
5
-
-
-
17584612
CCT004464
CCT004464
Property
Value
Molecule Weight
231.2
Acceptor count
4
Donor count
0
XLOGP
2.91
Rotatable bond
1
Aromatic rings
1
Download 2D Structure
Download 3D Structure
3.1
-
-
-
19101154
Isothiazolone_derivative1_10
Isothiazolone_derivative1_10
Property
Value
Molecule Weight
178.21
Acceptor count
1
Donor count
0
XLOGP
1.3
Rotatable bond
1
Aromatic rings
1
Download 2D Structure
Download 3D Structure
1.5
-
-
-
19101154
Isothiazolone_derivative1_13
Isothiazolone_derivative1_13
Property
Value
Molecule Weight
220.3
Acceptor count
2
Donor count
0
XLOGP
2.71
Rotatable bond
4
Aromatic rings
1
Download 2D Structure
Download 3D Structure
5.4
-
-
-
19101154
Isothiazolone_derivative1_14
Isothiazolone_derivative1_14
Property
Value
Molecule Weight
262.33
Acceptor count
1
Donor count
0
XLOGP
1.88
Rotatable bond
2
Aromatic rings
1
Download 2D Structure
Download 3D Structure
7.5
-
-
-
19101154
CCT004466
CCT004466
Property
Value
Molecule Weight
229.66
Acceptor count
2
Donor count
0
XLOGP
3.33
Rotatable bond
1
Aromatic rings
1
Download 2D Structure
Download 3D Structure
5.4
-
-
-
19101154
Isothiazolone_derivative1_20
Isothiazolone_derivative1_20
Property
Value
Molecule Weight
207.25
Acceptor count
2
Donor count
1
XLOGP
2.01
Rotatable bond
3
Aromatic rings
1
Download 2D Structure
Download 3D Structure
109
-
-
-
19101154
Isothiazolone_derivative1_21
Isothiazolone_derivative1_21
Property
Value
Molecule Weight
249.29
Acceptor count
3
Donor count
0
XLOGP
2.65
Rotatable bond
5
Aromatic rings
1
Download 2D Structure
Download 3D Structure
162
-
-
-
19101154
Isothiazolone_derivative1_22
Isothiazolone_derivative1_22
Property
Value
Molecule Weight
326.38
Acceptor count
4
Donor count
1
XLOGP
3.57
Rotatable bond
6
Aromatic rings
2
Download 2D Structure
Download 3D Structure
200
-
-
-
19101154
Isothiazolone_derivative1_23
Isothiazolone_derivative1_23
Property
Value
Molecule Weight
232.27
Acceptor count
4
Donor count
0
XLOGP
0
Rotatable bond
3
Aromatic rings
1
Download 2D Structure
Download 3D Structure
58
-
-
-
19101154
Isothiazolone_derivative1_28
Isothiazolone_derivative1_28
Property
Value
Molecule Weight
191.25
Acceptor count
1
Donor count
0
XLOGP
2.92
Rotatable bond
2
Aromatic rings
1
Download 2D Structure
Download 3D Structure
200
-
-
-
19101154
Isothiazolone_derivative1_29
Isothiazolone_derivative1_29
Property
Value
Molecule Weight
253.32
Acceptor count
1
Donor count
0
XLOGP
4.24
Rotatable bond
2
Aromatic rings
2
Download 2D Structure
Download 3D Structure
200
-
-
-
19101154
Isothiazolone_derivative1_3
Isothiazolone_derivative1_3
Property
Value
Molecule Weight
177.23
Acceptor count
1
Donor count
0
XLOGP
2.6
Rotatable bond
1
Aromatic rings
1
Download 2D Structure
Download 3D Structure
28
-
-
-
19101154
Isothiazolone_derivative1_30
Isothiazolone_derivative1_30
Property
Value
Molecule Weight
191.25
Acceptor count
1
Donor count
0
XLOGP
2.73
Rotatable bond
2
Aromatic rings
1
Download 2D Structure
Download 3D Structure
32
-
-
-
19101154
Isothiazolone_derivative1_32
Isothiazolone_derivative1_32
Property
Value
Molecule Weight
221.28
Acceptor count
2
Donor count
0
XLOGP
2.52
Rotatable bond
4
Aromatic rings
1
Download 2D Structure
 nbsp;
Download 3D Structure
102
-
-
-
19101154
Isothiazolone_derivative1_33
Isothiazolone_derivative1_33
Property
Value
Molecule Weight
232.27
Acceptor count
4
Donor count
0
XLOGP
0
Rotatable bond
3
Aromatic rings
1
Download 2D Structure
Download 3D Structure
42.7
-
-
-
19101154
Isothiazolone_derivative1_34
Isothiazolone_derivative1_34
Property
Value
Molecule Weight
225.7
Acceptor count
1
Donor count
0
XLOGP
3.75
Rotatable bond
2
Aromatic rings
1
Download 2D Structure
Download 3D Structure
19.8
-
-
-
19101154
Isothiazolone_derivative1_35
Isothiazolone_derivative1_35
Property
Value
Molecule Weight
221.28
Acceptor count
2
Donor count
0
XLOGP
3.09
Rotatable bond
4
Aromatic rings
1
Download 2D Structure
Download 3D Structure
200
-
-
-
19101154
Isothiazolone_derivative1_38
Isothiazolone_derivative1_38
Property
Value
Molecule Weight
228.27
Acceptor count
1
Donor count
0
XLOGP
4.4
Rotatable bond
1
Aromatic rings
2
Download 2D Structure
Download 3D Structure
6.1
-
-
-
19101154
Isothiazolone_derivative1_8
Isothiazolone_derivative1_8
Property
Value
Molecule Weight
178.21
Acceptor count
1
Donor count
0
XLOGP
1.7
Rotatable bond
1
Aromatic rings
1
Download 2D Structure
Download 3D Structure
19
-
-
-
19101154
Isothiazolone_derivative1_9
Isothiazolone_derivative1_9
Property
Value
Molecule Weight
178.21
Acceptor count
1
Donor count
0
XLOGP
1.3
Rotatable bond
1
Aromatic rings
1
Download 2D Structure
Download 3D Structure
6.5
-
-
-
19101154
Bisubstrate_inhibitor_1_H4K5CoA
Bisubstrate_inhibitor_1_H4K5CoA
Property
Value
Molecule Weight
2841.92
Acceptor count
77
Donor count
46
XLOGP
-20.09
Rotatable bond
147
Aromatic rings
3
Download 2D Structure
Download 3D Structure
65.93
-
-
-
19114310
Bisubstrate_inhibitor_2_H4K8CoA
Bisubstrate_inhibitor_2_H4K8CoA
Property
Value
Molecule Weight
2841.92
Acceptor count
77
Donor count
46
XLOGP
-20.09
Rotatable bond
147
Aromatic rings
3
Download 2D Structure
Download 3D Structure
124.3
-
-
-
19114310
Bisubstrate_inhibitor_3_H4K12CoA
Bisubstrate_inhibitor_3_H4K12CoA
Property
Value
Molecule Weight
2841.92
Acceptor count
77
Donor count
46
XLOGP
-20.09
Rotatable bond
147
Aromatic rings
3
Download 2D Structure
Download 3D Structure
53.57
-
-
-
19114310
Bisubstrate_inhibitor_4_H4K16CoA
Bisubstrate_inhibitor_4_H4K16CoA
Property
Value
Molecule Weight
2841.92
Acceptor count
77
Donor count
46
XLOGP
-20.09
Rotatable bond
147
Aromatic rings
3
Download 2D Structure
Download 3D Structure
58.47
-
-
-
19114310
Bisubstrate_inhibitor_5_H2AK5CoA
Bisubstrate_inhibitor_5_H2AK5CoA
Property
Value
Molecule Weight
3008.06
Acceptor count
86
Donor count
52
XLOGP
-23.78
Rotatable bond
159
Aromatic rings
2
Download 2D Structure
Download 3D Structure
60.54
-
-
-
19114310
Bisubstrate_inhibitor_6_H3K14CoA
Bisubstrate_inhibitor_6_H3K14CoA
Property
Value
Molecule Weight
3033.15
Acceptor count
82
Donor count
48
XLOGP
-20.85
Rotatable bond
158
Aromatic rings
2
Download 2D Structure
Download 3D Structure
2.27
-
-
-
19114310
Bisubstrate_inhibitor_7_LysCoA
Bisubstrate_inhibitor_7_LysCoA
Property
Value
Molecule Weight
994.81
Acceptor count
25
Donor count
12
XLOGP
-8.56
Rotatable bond
43
Aromatic rings
2
Download 2D Structure
Download 3D Structure
108.3
-
-
-
19114310
Bisubstrate_inhibitor_Anacardic acid
Bisubstrate_inhibitor_Anacardic acid
Property
Value
Molecule Weight
342.48
Acceptor count
3
Donor count
2
XLOGP
5.94
Rotatable bond
15
Aromatic rings
1
Download 2D Structure
Download 3D Structure
667.05
-
-
-
19114310
Bisubstrate_inhibitor_CoASH
Bisubstrate_inhibitor_CoASH
Property
Value
Molecule Weight
1049.8
Acceptor count
26
Donor count
14
XLOGP
-10.15
Rotatable bond
43
Aromatic rings
3
Download 2D Structure
Download 3D Structure
41.91
-
-
-
19114310
4_hydroxyquinoline_derv_1
4_hydroxyquinoline_derv_1
Property
Value
Molecule Weight
231.25
Acceptor count
3
Donor count
1
XLOGP
2.82
Rotatable bond
6
Aromatic rings
2
Download 2D Structure
Download 3D Structure
ND
18.3 % inhibition at 50 µM
-
-
19144517
4_hydroxyquinoline_derv_2
4_hydroxyquinoline_derv_2
Property
Value
Molecule Weight
203.2
Acceptor count
3
Donor count
2
XLOGP
2.07
Rotatable bond
4
Aromatic rings
2
Download 2D Structure
Download 3D Structure
ND
-
-
104.2 % activity at 50 µM
19144517
4_hydroxyquinoline_derv_3
4_hydroxyquinoline_derv_3
Property
Value
Molecule Weight
287.36
Acceptor count
3
Donor count
1
XLOGP
4.59
Rotatable bond
10
Aromatic rings
2
Download 2D Structure
Download 3D Structure
ND
0 % inhibition at 50 µM
-
-
19144517
MC1823
MC1823
Property
Value
Molecule Weight
259.3
Acceptor count
3
Donor count
2
XLOGP
3.84
Rotatable bond
8
Aromatic rings
2
Download 2D Structure
Download 3D Structure
ND
-
-
102.8 % activity at 50 µM
19144517
4_hydroxyquinoline_derv_5
4_hydroxyquinoline_derv_5
Property
Value
Molecule Weight
357.49
Acceptor count
3
Donor count
1
XLOGP
6.84
Rotatable bond
15
Aromatic rings
2
Download 2D Structure
Download 3D Structure
ND
9.9 % inhibition at 50 µM
-
-
19144517
4_hydroxyquinoline_derv_6
4_hydroxyquinoline_derv_6
Property
Value
Molecule Weight
329.44
Acceptor count
3
Donor count
2
XLOGP
6.09
Rotatable bond
13
Aromatic rings
2
Download 2D Structure
Download 3D Structure
ND
8.5 % inhibition at 50 µM
-
-
19144517
4_hydroxyquinoline_derv_7
4_hydroxyquinoline_derv_7
Property
Value
Molecule Weight
427.63
Acceptor count
3
Donor count
1
XLOGP
9.09
Rotatable bond
20
Aromatic rings
2
Download 2D Structure
Download 3D Structure
ND
17.6 % inhibition at 50 µM
-
-
19144517
4_hydroxyquinoline_derv_8
4_hydroxyquinoline_derv_8
Property
Value
Molecule Weight
399.57
Acceptor count
3
Donor count
2
XLOGP
8.34
Rotatable bond
18
Aromatic rings
2
Download 2D Structure
Download 3D Structure
ND
37.3 % inhibition at 50 µM
-
-
19144517
Epigallocatechin_3_gallate
Epigallocatechin_3_gallate
Property
Value
Molecule Weight
458.38
Acceptor count
10
Donor count
8
XLOGP
2.76
Rotatable bond
12
Aromatic rings
3
Download 2D Structure
Download 3D Structure
60
-
-
constituent of green tea
19147572
Isothiazolone_based_derivative1_10
Isothiazolone_based_derivative1_10
Property
Value
Molecule Weight
272.11
Acceptor count
4
Donor count
0
XLOGP
0.5
Rotatable bond
5
Aromatic rings
0
Download 2D Structure
Download 3D Structure
10
-
-
-
19683843
Isothiazolone_based_derivative1_11
Isothiazolone_based_derivative1_11
Property
Value
Molecule Weight
373.62
Acceptor count
3
Donor count
0
XLOGP
5.66
Rotatable bond
17
Aromatic rings
0
Download 2D Structure
Download 3D Structure
10
-
-
-
19683843
Isothiazolone_based_derivative1_12
Isothiazolone_based_derivative1_12
Property
Value
Molecule Weight
403.61
Acceptor count
5
Donor count
0
XLOGP
4.49
Rotatable bond
18
Aromatic rings
0
Download 2D Structure
Download 3D Structure
10
-
-
-
19683843
Isothiazolone_based_derivative1_13
Isothiazolone_based_derivative1_13
Property
Value
Molecule Weight
438.05
Acceptor count
5
Donor count
0
XLOGP
5.11
Rotatable bond
18
Aromatic rings
0
Download 2D Structure
Download 3D Structure
10
-
-
-
19683843
Isothiazolone_based_derivative1_19
Isothiazolone_based_derivative1_19
Property
Value
Molecule Weight
177.65
Acceptor count
1
Donor count
0
XLOGP
2.24
Rotatable bond
3
Aromatic rings
0
Download 2D Structure
Download 3D Structure
10
-
-
-
19683843
Isothiazolone_based_derivative1_20
Isothiazolone_based_derivative1_20
Property
Value
Molecule Weight
235.69
Acceptor count
3
Donor count
0
XLOGP
1.65
Rotatable bond
6
Aromatic rings
0
Download 2D Structure
Download 3D Structure
10
-
-
-
19683843
Isothiazolone_based_derivative1_21
Isothiazolone_based_derivative1_21
Property
Value
Molecule Weight
193.65
Acceptor count
2
Donor count
0
XLOGP
0.59
Rotatable bond
3
Aromatic rings
0
Download 2D Structure
Download 3D Structure
10
-
-
-
19683843
Isothiazolone_based_derivative1_22
Isothiazolone_based_derivative1_22
Property
Value
Molecule Weight
251.69
Acceptor count
4
Donor count
0
XLOGP
-0
Rotatable bond
6
Aromatic rings
0
Download 2D Structure
Download 3D Structure
10
-
-
-
19683843
Isothiazolone_based_derivative1_3
Isothiazolone_based_derivative1_3
Property
Value
Molecule Weight
221.66
Acceptor count
3
Donor count
0
XLOGP
1.84
Rotatable bond
5
Aromatic rings
0
Download 2D Structure
Download 3D Structure
1.8
-
-
-
19683843
Isothiazolone_based_derivative1_4
Isothiazolone_based_derivative1_4
Property
Value
Molecule Weight
179.63
Acceptor count
2
Donor count
0
XLOGP
0.47
Rotatable bond
2
Aromatic rings
0
Download 2D Structure
Download 3D Structure
10
-
-
-
19683843
Isothiazolone_based_derivative1_5
Isothiazolone_based_derivative1_5
Property
Value
Molecule Weight
207.68
Acceptor count
2
Donor count
0
XLOGP
1.36
Rotatable bond
4
Aromatic rings
0
Download 2D Structure
Download 3D Structure
10
-
-
-
19683843
Isothiazolone_based_derivative1_7
Isothiazolone_based_derivative1_7
Property
Value
Molecule Weight
198.07
Acceptor count
1
Donor count
0
XLOGP
2.73
Rotatable bond
2
Aromatic rings
0
Download 2D Structure
Download 3D Structure
2.4
-
-
-
19683843
Isothiazolone_based_derivative1_8
Isothiazolone_based_derivative1_8
Property
Value
Molecule Weight
256.11
Acceptor count
3
Donor count
0
XLOGP
2.15
Rotatable bond
5
Aromatic rings
0
Download 2D Structure
Download 3D Structure
2.6
-
-
-
19683843
Isothiazolone_based_derivative1_9
Isothiazolone_based_derivative1_9
Property
Value
Molecule Weight
214.07
Acceptor count
2
Donor count
0
XLOGP
1.09
Rotatable bond
2
Aromatic rings
0
Download 2D Structure
Download 3D Structure
10
-
-
-
19683843
Anarcadic_acid_derivative2_6d
Anarcadic_acid_derivative2_6d
Property
Value
Molecule Weight
326.39
Acceptor count
4
Donor count
2
XLOGP
5.96
Rotatable bond
11
Aromatic rings
2
Download 2D Structure
Download 3D Structure
662
-
-
-
20655754
Inhibitor_a
Inhibitor_a
Property
Value
Molecule Weight
592.7
Acceptor count
4
Donor count
0
XLOGP
8.43
Rotatable bond
9
Aromatic rings
5
Download 2D Structure
Download 3D Structure
100
-
-
-
21186043
Isothiazolone_derivative_1
Isothiazolone_derivative_1
Property
Value
Molecule Weight
177.23
Acceptor count
1
Donor count
0
XLOGP
2.6
Rotatable bond
1
Aromatic rings
1
Download 2D Structure
Download 3D Structure
10
-
-
-
21267493
Isothiazolone_derivative_10
Isothiazolone_derivative_10
Property
Value
Molecule Weight
264.11
Acceptor count
2
Donor count
0
XLOGP
4.35
Rotatable bond
1
Aromatic rings
1
Download 2D Structure
Download 3D Structure
2.5
-
-
-
21267493
Isothiazolone_derivative_11
Isothiazolone_derivative_11
Property
Value
Molecule Weight
334.22
Acceptor count
3
Donor count
0
XLOGP
4.39
Rotatable bond
7
Aromatic rings
1
Download 2D Structure
Download 3D Structure
3.9
-
-
-
21267493
Isothiazolone_derivative_12
Isothiazolone_derivative_12
Property
Value
Molecule Weight
171.26
Acceptor count
1
Donor count
0
XLOGP
2.75
Rotatable bond
5
Aromatic rings
0
Download 2D Structure
Download 3D Structure
10
-
-
-
21267493
Isothiazolone_derivative_13
Isothiazolone_derivative_13
Property
Value
Molecule Weight
205.71
Acceptor count
1
Donor count
0
XLOGP
3.78
Rotatable bond
5
Aromatic rings
0
Download 2D Structure
Download 3D Structure
2.9
-
-
-
21267493
Isothiazolone_derivative_14
Isothiazolone_derivative_14
Property
Value
Molecule Weight
221.66
Acceptor count
3
Donor count
0
XLOGP
1.84
Rotatable bond
5
Aromatic rings
0
Download 2D Structure
Download 3D Structure
1.8
-
-
-
21267493
Isothiazolone_derivative_15
Isothiazolone_derivative_15
Property
Value
Molecule Weight
256.11
Acceptor count
3
Donor count
0
XLOGP
2.46
Rotatable bond
5
Aromatic rings
0
Download 2D Structure
Download 3D Structure
2.6
-
-
-
21267493
Isothiazolone_derivative_16
Isothiazolone_derivative_16
Property
Value
Molecule Weight
235.69
Acceptor count
3
Donor count
0
XLOGP
1.96
Rotatable bond
6
Aromatic rings
0
Download 2D Structure
Download 3D Structure
10
-
-
-
21267493
Isothiazolone_derivative_17
Isothiazolone_derivative_17
Property
Value
Molecule Weight
235.69
Acceptor count
3
Donor count
0
XLOGP
2.25
Rotatable bond
6
Aromatic rings
0
Download 2D Structure
Download 3D Structure
2
-
-
-
21267493
Isothiazolone_derivative_18
Isothiazolone_derivative_18
Property
Value
Molecule Weight
235.69
Acceptor count
3
Donor count
0
XLOGP
2.29
Rotatable bond
6
Aromatic rings
0
Download 2D Structure
Download 3D Structure
2.5
-
-
-
21267493
Isothiazolone_derivative_19
Isothiazolone_derivative_19
Property
Value
Molecule Weight
179.63
Acceptor count
2
Donor count
0
XLOGP
0.47
Rotatable bond
2
Aromatic rings
0
Download 2D Structure
Download 3D Structure
10
-
-
-
21267493
Isothiazolone_derivative_20
Isothiazolone_derivative_20
Property
Value
Molecule Weight
214.07
Acceptor count
2
Donor count
0
XLOGP
1.09
Rotatable bond
2
Aromatic rings
0
Download 2D Structure
Download 3D Structure
10
-
-
-
21267493
Isothiazolone_derivative_21
Isothiazolone_derivative_21
Property
Value
Molecule Weight
193.65
Acceptor count
2
Donor count
0
XLOGP
0.59
Rotatable bond
3
Aromatic rings
0
Download 2D Structure
Download 3D Structure
10
-
-
-
21267493
Isothiazolone_derivative_22
Isothiazolone_derivative_22
Property
Value
Molecule Weight
237.66
Acceptor count
4
Donor count
0
XLOGP
-0.12
Rotatable bond
5
Aromatic rings
0
Download 2D Structure
Download 3D Structure
5.6
-
-
-
21267493
Isothiazolone_derivative_23
Isothiazolone_derivative_23
Property
Value
Molecule Weight
272.11
Acceptor count
4
Donor count
0
XLOGP
0.5
Rotatable bond
5
Aromatic rings
0
Download 2D Structure
Download 3D Structure
10
-
-
-
21267493
Isothiazolone_derivative_24
Isothiazolone_derivative_24
Property
Value
Molecule Weight
251.69
Acceptor count
4
Donor count
0
XLOGP
0
Rotatable bond
6
Aromatic rings
0
Download 2D Structure
Download 3D Structure
10
-
-
-
21267493
Isothiazolone_derivative_25
Isothiazolone_derivative_25
Property
Value
Molecule Weight
263.34
Acceptor count
5
Donor count
0
XLOGP
-0.01
Rotatable bond
8
Aromatic rings
0
Download 2D Structure
Download 3D Structure
10
-
-
-
21267493
Isothiazolone_derivative_26
Isothiazolone_derivative_26
Property
Value
Molecule Weight
297.78
Acceptor count
5
Donor count
0
XLOGP
0.61
Rotatable bond
8
Aromatic rings
0
Download 2D Structure
Download 3D Structure
10
-
-
-
21267493
Isothiazolone_derivative_3
Isothiazolone_derivative_3
Property
Value
Molecule Weight
253.39
Acceptor count
4
Donor count
1
XLOGP
3.47
Rotatable bond
8
Aromatic rings
1
Download 2D Structure
Download 3D Structure
10
-
-
-
21267493
Isothiazolone_derivative_4
Isothiazolone_derivative_4
Property
Value
Molecule Weight
305.46
Acceptor count
6
Donor count
1
XLOGP
3.03
Rotatable bond
15
Aromatic rings
0
Download 2D Structure
Download 3D Structure
10
-
-
-
21267493
Isothiazolone_derivative_5
Isothiazolone_derivative_5
Property
Value
Molecule Weight
211.67
Acceptor count
1
Donor count
0
XLOGP
3.63
Rotatable bond
1
Aromatic rings
1
Download 2D Structure
Download 3D Structure
10
-
-
-
21267493
Isothiazolone_derivative_7
Isothiazolone_derivative_7
Property
Value
Molecule Weight
287.83
Acceptor count
4
Donor count
1
XLOGP
4.49
Rotatable bond
8
Aromatic rings
1
Download 2D Structure
Download 3D Structure
10
-
-
-
21267493
Isothiazolone_derivative_9
Isothiazolone_derivative_9
Property
Value
Molecule Weight
229.66
Acceptor count
2
Donor count
0
XLOGP
3.33
Rotatable bond
1
Aromatic rings
1
Download 2D Structure
Download 3D Structure
4.2
-
-
-
21267493
Pyridoisothiazolone_inhibitor_4a
Pyridoisothiazolone_inhibitor_4a
Property
Value
Molecule Weight
228.27
Acceptor count
1
Donor count
0
XLOGP
3.08
Rotatable bond
1
Aromatic rings
2
Download 2D Structure
Download 3D Structure
7.85
88 % at 50 µM
-
Ic50 measured for histone substrate 3(aa 1-21) | Inhibition measured for histone substrate 4(aa 2-24)
21353783
Pyridoisothiazolone_inhibitor_4b
Pyridoisothiazolone_inhibitor_4b
Property
Value
Molecule Weight
262.72
Acceptor count
1
Donor count
0
XLOGP
3.7
Rotatable bond
1
Aromatic rings
2
Download 2D Structure
Download 3D Structure
3.53
87 % at 50 µM
-
Ic50 measured for histone substrate 3(aa 1-21) | Inhibition measured for histone substrate 4(aa 2-24)
21353783
Pyridoisothiazolone_inhibitor_4c
Pyridoisothiazolone_inhibitor_4c
Property
Value
Molecule Weight
297.16
Acceptor count
1
Donor count
0
XLOGP
4.32
Rotatable bond
1
Aromatic rings
2
Download 2D Structure
Download 3D Structure
4.57
91 % at 50 µM
-
Ic50 measured for histone substrate 3(aa 1-21) | Inhibition measured for histone substrate 4(aa 2-24)
21353783
Pyridoisothiazolone_inhibitor_4d
Pyridoisothiazolone_inhibitor_4d
Property
Value
Molecule Weight
246.26
Acceptor count
2
Donor count
0
XLOGP
3.18
Rotatable bond
1
Aromatic rings
2
Download 2D Structure
Download 3D Structure
1.64 | 0.72
-
-
Ic50 measured for histone substrate 3(aa 1-21) | Ic50 measured for histone substrate 4(aa 2-24)
21353783
Pyridoisothiazolone_inhibitor_4e
Pyridoisothiazolone_inhibitor_4e
Property
Value
Molecule Weight
264.26
Acceptor count
3
Donor count
0
XLOGP
3.29
Rotatable bond
1
Aromatic rings
2
Download 2D Structure
Download 3D Structure
5.9
-
-
Ic50 measured for histone substrate 3(aa 1-21)
21353783
Pyridoisothiazolone_inhibitor_4f
Pyridoisothiazolone_inhibitor_4f
Property
Value
Molecule Weight
242.3
Acceptor count
1
Donor count
0
XLOGP
3.36
Rotatable bond
2
Aromatic rings
2
Download 2D Structure
Download 3D Structure
4.63
75 % at 50 µM
-
Ic50 measured for histone substrate 3(aa 1-21) | Inhibition measured for histone substrate 4(aa 2-24)
21353783
Pyridoisothiazolone_inhibitor_4g
Pyridoisothiazolone_inhibitor_4g
Property
Value
Molecule Weight
258.3
Acceptor count
2
Donor count
0
XLOGP
3.05
Rotatable bond
3
Aromatic rings
2
Download 2D Structure
Download 3D Structure
5.03
-
-
Ic50 measured for histone substrate 3(aa 1-21)
21353783
Pyridoisothiazolone_inhibitor_8a
Pyridoisothiazolone_inhibitor_8a
Property
Value
Molecule Weight
242.3
Acceptor count
1
Donor count
0
XLOGP
3.2
Rotatable bond
2
Aromatic rings
2
Download 2D Structure
Download 3D Structure
22.96
-
-
Ic50 measured for histone substrate 3(aa 1-21)
21353783
Pyridoisothiazolone_inhibitor_8b
Pyridoisothiazolone_inhibitor_8b
Property
Value
Molecule Weight
276.75
Acceptor count
1
Donor count
0
XLOGP
3.82
Rotatable bond
2
Aromatic rings
2
Download 2D Structure
Download 3D Structure
17.5
-
-
Ic50 measured for histone substrate 3(aa 1-21)
21353783
Pyridoisothiazolone_inhibitor_8c
Pyridoisothiazolone_inhibitor_8c
Property
Value
Molecule Weight
311.19
Acceptor count
1
Donor count
0
XLOGP
4.43
Rotatable bond
2
Aromatic rings
2
Download 2D Structure
Download 3D Structure
6.94
-
-
Ic50 measured for histone substrate 3(aa 1-21)
21353783
Pyridoisothiazolone_inhibitor_8d
Pyridoisothiazolone_inhibitor_8d
Property
Value
Molecule Weight
260.29
Acceptor count
2
Donor count
0
XLOGP
3.3
Rotatable bond
2
Aromatic rings
2
Download 2D Structure
Download 3D Structure
86.3
-
-
Ic50 measured for histone substrate 3(aa 1-21)
21353783
Pyridoisothiazolone_inhibitor_8e
Pyridoisothiazolone_inhibitor_8e
Property
Value
Molecule Weight
278.28
Acceptor count
3
Donor count
0
XLOGP
3.4
Rotatable bond
2
Aromatic rings
2
Download 2D Structure
Download 3D Structure
101
-
-
Ic50 measured for histone substrate 3(aa 1-21)
21353783
Pyridoisothiazolone_inhibitor_8f
Pyridoisothiazolone_inhibitor_8f
Property
Value
Molecule Weight
256.33
Acceptor count
1
Donor count
0
XLOGP
3.48
Rotatable bond
3
Aromatic rings
2
Download 2D Structure
Download 3D Structure
27.9
-
-
Ic50 measured for histone substrate 3(aa 1-21)
21353783
Pyridoisothiazolone_inhibitor_8g
Pyridoisothiazolone_inhibitor_8g
Property
Value
Molecule Weight
272.33
Acceptor count
2
Donor count
0
XLOGP
3.16
Rotatable bond
4
Aromatic rings
2
Download 2D Structure
Download 3D Structure
22.2
-
-
Ic50 measured for histone substrate 3(aa 1-21)
21353783
Pyridoisothiazolone_inhibitor_8h
Pyridoisothiazolone_inhibitor_8h
Property
Value
Molecule Weight
310.3
Acceptor count
4
Donor count
0
XLOGP
4.19
Rotatable bond
3
Aromatic rings
2
Download 2D Structure
Download 3D Structure
130
-
-
Ic50 measured for histone substrate 3(aa 1-21)
21353783
Pyridoisothiazolone_inhibitor_NSC694599
Pyridoisothiazolone_inhibitor_NSC694599
Property
Value
Molecule Weight
287.3
Acceptor count
4
Donor count
0
XLOGP
2.92
Rotatable bond
3
Aromatic rings
2
Download 2D Structure
Download 3D Structure
15.3 | 2.72
-
-
Ic50 measured for histone substrate 3(aa 1-21) | Ic50 measured for histone substrate 4(aa 2-24)
21353783
Pyridoisothiazolone_inhibitor_NSC694600
Pyridoisothiazolone_inhibitor_NSC694600
Property
Value
Molecule Weight
272.33
Acceptor count
2
Donor count
0
XLOGP
3.02
Rotatable bond
4
Aromatic rings
2
Download 2D Structure
Download 3D Structure
6.51
-
-
Ic50 measured for histone substrate 3(aa 1-21)
21353783
Pyridoisothiazolone_inhibitor_NSC694614
Pyridoisothiazolone_inhibitor_NSC694614
Property
Value
Molecule Weight
321.2
Acceptor count
1
Donor count
0
XLOGP
4.16
Rotatable bond
2
Aromatic rings
2
Download 2D Structure
Download 3D Structure
2.99
-
-
Ic50 measured for histone substrate 3(aa 1-21)
21353783
Pyridoisothiazolone_inhibitor_NSC694615
Pyridoisothiazolone_inhibitor_NSC694615
Property
Value
Molecule Weight
307.17
Acceptor count
1
Donor count
0
XLOGP
3.88
Rotatable bond
1
Aromatic rings
2
Download 2D Structure
Download 3D Structure
4.43
-
-
Ic50 measured for histone substrate 3(aa 1-21)
21353783
Pyridoisothiazolone_inhibitor_NSC694616
Pyridoisothiazolone_inhibitor_NSC694616
Property
Value
Molecule Weight
352.17
Acceptor count
4
Donor count
0
XLOGP
3.44
Rotatable bond
2
Aromatic rings
2
Download 2D Structure
Download 3D Structure
4.91 | 0.86
-
-
Ic50 measured for histone substrate 3(aa 1-21) | Ic50 measured for histone substrate 4(aa 2-24)
21353783
Pyridoisothiazolone_inhibitor_NSC694617
Pyridoisothiazolone_inhibitor_NSC694617
Property
Value
Molecule Weight
273.27
Acceptor count
4
Donor count
0
XLOGP
2.95
Rotatable bond
2
Aromatic rings
2
Download 2D Structure
Download 3D Structure
4.1 | 2.99
-
-
Ic50 measured for histone substrate 3(aa 1-21) | Ic50 measured for histone substrate 4(aa 2-24)
21353783
Pyridoisothiazolone_inhibitor_NSC694618
Pyridoisothiazolone_inhibitor_NSC694618
Property
Value
Molecule Weight
318.27
Acceptor count
7
Donor count
0
XLOGP
2.52
Rotatable bond
3
Aromatic rings
2
Download 2D Structure
Download 3D Structure
11.8 | 15.8
-
-
Ic50 measured for histone substrate 3(aa 1-21) | Ic50 measured for histone substrate 4(aa 2-24)
21353783
Pyridoisothiazolone_inhibitor_NSC694619
Pyridoisothiazolone_inhibitor_NSC694619
Property
Value
Molecule Weight
334.4
Acceptor count
2
Donor count
0
XLOGP
4.63
Rotatable bond
4
Aromatic rings
3
Download 2D Structure
Download 3D Structure
12.9
-
-
Ic50 measured for histone substrate 3(aa 1-21)
21353783
Pyridoisothiazolone_inhibitor_NSC694620
Pyridoisothiazolone_inhibitor_NSC694620
Property
Value
Molecule Weight
365.37
Acceptor count
5
Donor count
0
XLOGP
4.22
Rotatable bond
4
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
48 % at 10 µM
-
Inhibition for histone substrate 3(aa 1-21)
21353783
Pyridoisothiazolone_inhibitor_NSC694621
Pyridoisothiazolone_inhibitor_NSC694621
Property
Value
Molecule Weight
258.3
Acceptor count
2
Donor count
0
XLOGP
3.05
Rotatable bond
3
Aromatic rings
2
Download 2D Structure
Download 3D Structure
5.71
-
-
Ic50 measured for histone substrate 3(aa 1-21)
21353783
Pyridoisothiazolone_inhibitor_NSC694622
Pyridoisothiazolone_inhibitor_NSC694622
Property
Value
Molecule Weight
303.3
Acceptor count
5
Donor count
0
XLOGP
2.61
Rotatable bond
4
Aromatic rings
2
Download 2D Structure
Download 3D Structure
3.42 | 1.83
-
-
Ic50 measured for histone substrate 3(aa 1-21) | Ic50 measured for histone substrate 4(aa 2-24)
21353783
Pyridoisothiazolone_inhibitor_NSC694623
Pyridoisothiazolone_inhibitor_NSC694623
Property
Value
Molecule Weight
284.38
Acceptor count
1
Donor count
0
XLOGP
4.37
Rotatable bond
5
Aromatic rings
2
Download 2D Structure
Download 3D Structure
15.9
-
-
Ic50 measured for histone substrate 3(aa 1-21)
21353783
Pyridoisothiazolone_inhibitor_NSC700864
Pyridoisothiazolone_inhibitor_NSC700864
Property
Value
Molecule Weight
360.48
Acceptor count
1
Donor count
0
XLOGP
6.28
Rotatable bond
6
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
49 % at 25 µM
-
Inhibition for histone substrate 3(aa 1-21)
21353783
Pyridoisothiazolone_inhibitor_5
Pyridoisothiazolone_inhibitor_5
Property
Value
Molecule Weight
152.18
Acceptor count
1
Donor count
1
XLOGP
1.54
Rotatable bond
1
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
17 % inhibition at 50 µM
-
Inhibition for histone substrate 3(aa 1-21)
21353783
TIP60
TIP60
Click to Expand
total 15 compounds
Ligand Name
IC
50
(µM)
Inhibition
Ki
Comments
PubMed ID
Bisubstrate_inhibitor_1_H4K5CoA
Bisubstrate_inhibitor_1_H4K5CoA
Property
Value
Molecule Weight
2841.92
Acceptor count
77
Donor count
46
XLOGP
-20.09
Rotatable bond
147
Aromatic rings
3
Download 2D Structure
Download 3D Structure
143.35
-
-
-
19114310
Bisubstrate_inhibitor_2_H4K8CoA
Bisubstrate_inhibitor_2_H4K8CoA
Property
Value
Molecule Weight
2841.92
Acceptor count
77
Donor count
46
XLOGP
-20.09
Rotatable bond
147
Aromatic rings
3
Download 2D Structure
Download 3D Structure
111.7
-
-
-
19114310
Bisubstrate_inhibitor_3_H4K12CoA
Bisubstrate_inhibitor_3_H4K12CoA
Property
Value
Molecule Weight
2841.92
Acceptor count
77
Donor count
46
XLOGP
-20.09
Rotatable bond
147
Aromatic rings
3
Download 2D Structure
Download 3D Structure
25.87
-
-
-
19114310
Bisubstrate_inhibitor_4_H4K16CoA
Bisubstrate_inhibitor_4_H4K16CoA
Property
Value
Molecule Weight
2841.92
Acceptor count
77
Donor count
46
XLOGP
-20.09
Rotatable bond
147
Aromatic rings
3
Download 2D Structure
Download 3D Structure
17.59
-
-
-
19114310
Bisubstrate_inhibitor_5_H2AK5CoA
Bisubstrate_inhibitor_5_H2AK5CoA
Property
Value
Molecule Weight
3008.06
Acceptor count
86
Donor count
52
XLOGP
-23.78
Rotatable bond
159
Aromatic rings
2
Download 2D Structure
Download 3D Structure
20.91
-
-
-
19114310
Bisubstrate_inhibitor_6_H3K14CoA
Bisubstrate_inhibitor_6_H3K14CoA
Property
Value
Molecule Weight
3033.15
Acceptor count
82
Donor count
48
XLOGP
-20.85
Rotatable bond
158
Aromatic rings
2
Download 2D Structure
Download 3D Structure
79.62
-
-
-
19114310
Bisubstrate_inhibitor_7_LysCoA
Bisubstrate_inhibitor_7_LysCoA
Property
Value
Molecule Weight
994.81
Acceptor count
25
Donor count
12
XLOGP
-8.56
Rotatable bond
43
Aromatic rings
2
Download 2D Structure
Download 3D Structure
29.75
-
-
-
19114310
Bisubstrate_inhibitor_Anacardic acid
Bisubstrate_inhibitor_Anacardic acid
Property
Value
Molecule Weight
342.48
Acceptor count
3
Donor count
2
XLOGP
5.94
Rotatable bond
15
Aromatic rings
1
Download 2D Structure
Download 3D Structure
347.59
-
-
-
19114310
Bisubstrate_inhibitor_CoASH
Bisubstrate_inhibitor_CoASH
Property
Value
Molecule Weight
1049.8
Acceptor count
26
Donor count
14
XLOGP
-10.15
Rotatable bond
43
Aromatic rings
3
Download 2D Structure
Download 3D Structure
82.27
-
-
-
19114310
Curcurmin
Curcurmin
Property
Value
Molecule Weight
368.39
Acceptor count
6
Donor count
2
XLOGP
3.44
Rotatable bond
12
Aromatic rings
2
Download 2D Structure
Download 3D Structure
200
-
-
-
19114310
Epigallocatechin_3_gallate
Epigallocatechin_3_gallate
Property
Value
Molecule Weight
458.38
Acceptor count
10
Donor count
8
XLOGP
2.76
Rotatable bond
12
Aromatic rings
3
Download 2D Structure
Download 3D Structure
70
-
-
constituent of green tea
19147572
Inhibitor_a
Inhibitor_a
Property
Value
Molecule Weight
592.7
Acceptor count
4
Donor count
0
XLOGP
8.43
Rotatable bond
9
Aromatic rings
5
Download 2D Structure
Download 3D Structure
149
-
-
-
21186043
Inhibitor_b
Inhibitor_b
Property
Value
Molecule Weight
448.61
Acceptor count
6
Donor count
0
XLOGP
3.35
Rotatable bond
12
Aromatic rings
1
Download 2D Structure
Download 3D Structure
181
-
-
-
21186043
Inhibitor_c
Inhibitor_c
Property
Value
Molecule Weight
546.61
Acceptor count
3
Donor count
0
XLOGP
7.83
Rotatable bond
7
Aromatic rings
5
Download 2D Structure
Download 3D Structure
400
-
-
-
21186043
Inhibitor_d
Inhibitor_d
Property
Value
Molecule Weight
621.12
Acceptor count
4
Donor count
0
XLOGP
9.69
Rotatable bond
9
Aromatic rings
5
Download 2D Structure
Download 3D Structure
240
-
-
-
21186043
previous
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
next
About
|
Team
|
Contact Us
|
Disclaimer
Copyright © 2013 - All Rights Reserved
Powered by