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Epi
DBase
Small molecule modulators of Epigenetic proteins
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Protein Name
Protein Structure
Compounds
PRMT1
PRMT1
Click to Expand
total 213 compounds
Ligand Name
IC
50
(µM)
Inhibition
Ki
Comments
PubMed ID
Compound_24
Compound_24
Property
Value
Molecule Weight
495.46
Acceptor count
6
Donor count
3
XLOGP
4.5
Rotatable bond
10
Aromatic rings
5
Download 2D Structure
Download 3D Structure
0.03
-
-
-
24300735
AMA_1
AMA_1
Property
Value
Molecule Weight
357.54
Acceptor count
3
Donor count
1
XLOGP
5.11
Rotatable bond
11
Aromatic rings
1
Download 2D Structure
Download 3D Structure
-
-
-
-
15056663
AMA_2
AMA_2
Property
Value
Molecule Weight
294.44
Acceptor count
0
Donor count
1
XLOGP
4.55
Rotatable bond
1
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
-
-
-
15056663
AMI_2
AMI_2
Property
Value
Molecule Weight
259.29
Acceptor count
2
Donor count
1
XLOGP
0
Rotatable bond
2
Aromatic rings
1
Download 2D Structure
Download 3D Structure
11.18
-
-
-
15056663
AMI_3
AMI_3
Property
Value
Molecule Weight
241.25
Acceptor count
3
Donor count
0
XLOGP
1.93
Rotatable bond
3
Aromatic rings
1
Download 2D Structure
Download 3D Structure
16.29
-
-
-
15056663
AMI_4
AMI_4
Property
Value
Molecule Weight
324.33
Acceptor count
4
Donor count
3
XLOGP
1.82
Rotatable bond
4
Aromatic rings
1
Download 2D Structure
Download 3D Structure
0.19
-
-
-
15056663
AMI_5
AMI_5
Property
Value
Molecule Weight
647.9
Acceptor count
4
Donor count
2
XLOGP
7.38
Rotatable bond
4
Aromatic rings
2
Download 2D Structure
Download 3D Structure
1.41
-
-
-
15056663
AMI_6
AMI_6
Property
Value
Molecule Weight
495.28
Acceptor count
5
Donor count
3
XLOGP
6.48
Rotatable bond
6
Aromatic rings
3
Download 2D Structure
Download 3D Structure
5.11
-
-
-
15056663
AMI_7
AMI_7
Property
Value
Molecule Weight
605.92
Acceptor count
5
Donor count
1
XLOGP
6.13
Rotatable bond
6
Aromatic rings
2
Download 2D Structure
Download 3D Structure
1.61
-
-
-
15056663
AMI_8
AMI_8
Property
Value
Molecule Weight
674.09
Acceptor count
6
Donor count
2
XLOGP
7.42
Rotatable bond
6
Aromatic rings
3
Download 2D Structure
Download 3D Structure
1.8
-
-
-
15056663
AMI_9
AMI_9
Property
Value
Molecule Weight
510.51
Acceptor count
10
Donor count
4
XLOGP
7.08
Rotatable bond
13
Aromatic rings
4
Download 2D Structure
Download 3D Structure
0.28
-
-
-
15056663
Sinefungin
Sinefungin
Property
Value
Molecule Weight
381.39
Acceptor count
7
Donor count
6
XLOGP
-4.64
Rotatable bond
13
Aromatic rings
2
Download 2D Structure
Download 3D Structure
1.63
-
-
-
15056663
BIX_01294
BIX_01294
Property
Value
Molecule Weight
490.65
Acceptor count
3
Donor count
1
XLOGP
4.27
Rotatable bond
10
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
-
-
no inhibition was observed at the highest concentration tested, 9 µg/ml (typically 10 µM)
17289593
AMI_analogue_10a
AMI_analogue_10a
Property
Value
Molecule Weight
239.25
Acceptor count
6
Donor count
3
XLOGP
2.94
Rotatable bond
4
Aromatic rings
2
Download 2D Structure
Download 3D Structure
928
-
-
-
17323938
AMI_analogue_10b
AMI_analogue_10b
Property
Value
Molecule Weight
358.37
Acceptor count
8
Donor count
4
XLOGP
4.25
Rotatable bond
7
Aromatic rings
3
Download 2D Structure
Download 3D Structure
529
-
-
-
17323938
AMI_analogue_10c
AMI_analogue_10c
Property
Value
Molecule Weight
374.44
Acceptor count
8
Donor count
4
XLOGP
0
Rotatable bond
7
Aromatic rings
3
Download 2D Structure
Download 3D Structure
990
-
-
-
17323938
AMI_analogue_11
AMI_analogue_11
Property
Value
Molecule Weight
319.32
Acceptor count
10
Donor count
4
XLOGP
3.75
Rotatable bond
6
Aromatic rings
2
Download 2D Structure
Download 3D Structure
540
-
-
-
17323938
AMI_analogue_12
AMI_analogue_12
Property
Value
Molecule Weight
423.41
Acceptor count
10
Donor count
2
XLOGP
6.66
Rotatable bond
6
Aromatic rings
4
Download 2D Structure
Download 3D Structure
96
-
-
-
17323938
AMI_analogue_13
AMI_analogue_13
Property
Value
Molecule Weight
305.36
Acceptor count
7
Donor count
1
XLOGP
4.7
Rotatable bond
7
Aromatic rings
2
Download 2D Structure
Download 3D Structure
1220
-
-
-
17323938
AMI_analogue_14
AMI_analogue_14
Property
Value
Molecule Weight
269.3
Acceptor count
5
Donor count
1
XLOGP
3.47
Rotatable bond
7
Aromatic rings
2
Download 2D Structure
Download 3D Structure
440
-
-
-
17323938
AMI_analogue_15
AMI_analogue_15
Property
Value
Molecule Weight
1297.3
Acceptor count
35
Donor count
12
XLOGP
14.36
Rotatable bond
30
Aromatic rings
8
Download 2D Structure
Download 3D Structure
18.1
-
-
-
17323938
AMI_analogue_17
AMI_analogue_17
Property
Value
Molecule Weight
285.09
Acceptor count
3
Donor count
2
XLOGP
3.82
Rotatable bond
4
Aromatic rings
2
Download 2D Structure
Download 3D Structure
476
-
-
-
17323938
AMI_analogue_18
AMI_analogue_18
Property
Value
Molecule Weight
240.22
Acceptor count
4
Donor count
2
XLOGP
2.84
Rotatable bond
2
Aromatic rings
2
Download 2D Structure
Download 3D Structure
1160
-
-
-
17323938
AMI_analogue_19
AMI_analogue_19
Property
Value
Molecule Weight
268.15
Acceptor count
7
Donor count
4
XLOGP
-2.7
Rotatable bond
1
Aromatic rings
0
Download 2D Structure
Download 3D Structure
164
-
-
-
17323938
AMI_analogue_6a
AMI_analogue_6a
Property
Value
Molecule Weight
320.3
Acceptor count
4
Donor count
3
XLOGP
3.87
Rotatable bond
4
Aromatic rings
2
Download 2D Structure
Download 3D Structure
126
-
-
-
17323938
AMI_analogue_6c
AMI_analogue_6c
Property
Value
Molecule Weight
647.9
Acceptor count
4
Donor count
2
XLOGP
7.38
Rotatable bond
4
Aromatic rings
2
Download 2D Structure
Download 3D Structure
1.4
-
-
-
17323938
AMI_analogue_6d
AMI_analogue_6d
Property
Value
Molecule Weight
347.33
Acceptor count
5
Donor count
3
XLOGP
3.44
Rotatable bond
5
Aromatic rings
2
Download 2D Structure
Download 3D Structure
519
-
-
-
17323938
AMI_analogue_6e
AMI_analogue_6e
Property
Value
Molecule Weight
820.7
Acceptor count
5
Donor count
3
XLOGP
8.22
Rotatable bond
5
Aromatic rings
2
Download 2D Structure
Download 3D Structure
4.8
-
-
-
17323938
AMI_analogue_6f
AMI_analogue_6f
Property
Value
Molecule Weight
495.28
Acceptor count
5
Donor count
3
XLOGP
6.48
Rotatable bond
6
Aromatic rings
3
Download 2D Structure
Download 3D Structure
18.9
-
-
-
17323938
AMI_analogue_7a
AMI_analogue_7a
Property
Value
Molecule Weight
318.33
Acceptor count
4
Donor count
2
XLOGP
3.98
Rotatable bond
5
Aromatic rings
2
Download 2D Structure
Download 3D Structure
885
-
-
-
17323938
AMI_analogue_7b
AMI_analogue_7b
Property
Value
Molecule Weight
430.54
Acceptor count
4
Donor count
2
XLOGP
6.47
Rotatable bond
13
Aromatic rings
2
Download 2D Structure
Download 3D Structure
217
-
-
-
17323938
AMI_analogue_7c
AMI_analogue_7c
Property
Value
Molecule Weight
354.38
Acceptor count
6
Donor count
2
XLOGP
5.21
Rotatable bond
5
Aromatic rings
2
Download 2D Structure
Download 3D Structure
1050
-
-
-
17323938
AMI_analogue_7d
AMI_analogue_7d
Property
Value
Molecule Weight
756.83
Acceptor count
16
Donor count
6
XLOGP
5.27
Rotatable bond
29
Aromatic rings
2
Download 2D Structure
Download 3D Structure
34
-
-
-
17323938
AMI_analogue_8
AMI_analogue_8
Property
Value
Molecule Weight
301.39
Acceptor count
3
Donor count
3
XLOGP
3.61
Rotatable bond
5
Aromatic rings
2
Download 2D Structure
Download 3D Structure
280
-
-
-
17323938
AMI_analogue_9
AMI_analogue_9
Property
Value
Molecule Weight
504.5
Acceptor count
13
Donor count
6
XLOGP
5.97
Rotatable bond
10
Aromatic rings
4
Download 2D Structure
Download 3D Structure
92
-
-
-
17323938
Dye_like_small_molecule_10a
Dye_like_small_molecule_10a
Property
Value
Molecule Weight
239.25
Acceptor count
6
Donor count
3
XLOGP
2.94
Rotatable bond
4
Aromatic rings
2
Download 2D Structure
Download 3D Structure
928
-
-
-
17323938
Dye_like_small_molecule_10b
Dye_like_small_molecule_10b
Property
Value
Molecule Weight
358.37
Acceptor count
8
Donor count
4
XLOGP
4.25
Rotatable bond
7
Aromatic rings
3
Download 2D Structure
Download 3D Structure
529
-
-
-
17323938
Dye_like_small_molecule_10c
Dye_like_small_molecule_10c
Property
Value
Molecule Weight
374.44
Acceptor count
8
Donor count
4
XLOGP
0
Rotatable bond
7
Aromatic rings
3
Download 2D Structure
Download 3D Structure
990
-
-
-
17323938
Dye_like_small_molecule_11
Dye_like_small_molecule_11
Property
Value
Molecule Weight
319.32
Acceptor count
10
Donor count
4
XLOGP
3.75
Rotatable bond
6
Aromatic rings
2
Download 2D Structure
Download 3D Structure
540
-
-
-
17323938
Dye_like_small_molecule_12
Dye_like_small_molecule_12
Property
Value
Molecule Weight
423.41
Acceptor count
10
Donor count
2
XLOGP
6.66
Rotatable bond
6
Aromatic rings
4
Download 2D Structure
Download 3D Structure
96
-
-
-
17323938
Dye_like_small_molecule_13
Dye_like_small_molecule_13
Property
Value
Molecule Weight
305.36
Acceptor count
7
Donor count
1
XLOGP
4.7
Rotatable bond
7
Aromatic rings
2
Download 2D Structure
Download 3D Structure
1220
-
-
-
17323938
Dye_like_small_molecule_14
Dye_like_small_molecule_14
Property
Value
Molecule Weight
269.3
Acceptor count
5
Donor count
1
XLOGP
3.47
Rotatable bond
7
Aromatic rings
2
Download 2D Structure
Download 3D Structure
440
-
-
-
17323938
Dye_like_small_molecule_15
Dye_like_small_molecule_15
Property
Value
Molecule Weight
1297.3
Acceptor count
35
Donor count
12
XLOGP
14.36
Rotatable bond
30
Aromatic rings
8
Download 2D Structure
Download 3D Structure
18.1
-
-
-
17323938
Dye_like_small_molecule_16
Dye_like_small_molecule_16
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
1070
-
-
-
17323938
Dye_like_small_molecule_17
Dye_like_small_molecule_17
Property
Value
Molecule Weight
285.09
Acceptor count
3
Donor count
2
XLOGP
3.82
Rotatable bond
4
Aromatic rings
2
Download 2D Structure
Download 3D Structure
476
-
-
-
17323938
Dye_like_small_molecule_18
Dye_like_small_molecule_18
Property
Value
Molecule Weight
240.22
Acceptor count
4
Donor count
2
XLOGP
2.84
Rotatable bond
2
Aromatic rings
2
Download 2D Structure
Download 3D Structure
1160
-
-
-
17323938
Dye_like_small_molecule_19
Dye_like_small_molecule_19
Property
Value
Molecule Weight
267.16
Acceptor count
7
Donor count
4
XLOGP
-3.7
Rotatable bond
1
Aromatic rings
0
Download 2D Structure
Download 3D Structure
164
-
-
-
17323938
Dye_like_small_molecule_20
Dye_like_small_molecule_20
Property
Value
Molecule Weight
183.19
Acceptor count
3
Donor count
1
XLOGP
0
Rotatable bond
0
Aromatic rings
1
Download 2D Structure
Download 3D Structure
510
-
-
-
17323938
Dye_like_small_molecule_6a
Dye_like_small_molecule_6a
Property
Value
Molecule Weight
320.3
Acceptor count
4
Donor count
3
XLOGP
3.87
Rotatable bond
4
Aromatic rings
2
Download 2D Structure
Download 3D Structure
126
-
-
-
17323938
Dye_like_small_molecule_6b
Dye_like_small_molecule_6b
Property
Value
Molecule Weight
332.31
Acceptor count
4
Donor count
2
XLOGP
4.19
Rotatable bond
4
Aromatic rings
2
Download 2D Structure
Download 3D Structure
75
-
-
-
17323938
Dye_like_small_molecule_6d
Dye_like_small_molecule_6d
Property
Value
Molecule Weight
347.33
Acceptor count
5
Donor count
3
XLOGP
3.44
Rotatable bond
5
Aromatic rings
2
Download 2D Structure
Download 3D Structure
519
-
-
-
17323938
Dye_like_small_molecule_6e
Dye_like_small_molecule_6e
Property
Value
Molecule Weight
820.7
Acceptor count
5
Donor count
3
XLOGP
8.22
Rotatable bond
5
Aromatic rings
2
Download 2D Structure
Download 3D Structure
4.8
-
-
-
17323938
Dye_like_small_molecule_6f
Dye_like_small_molecule_6f
Property
Value
Molecule Weight
495.28
Acceptor count
5
Donor count
3
XLOGP
6.48
Rotatable bond
6
Aromatic rings
3
Download 2D Structure
Download 3D Structure
18.9
-
-
-
17323938
Dye_like_small_molecule_7a
Dye_like_small_molecule_7a
Property
Value
Molecule Weight
318.33
Acceptor count
4
Donor count
2
XLOGP
3.98
Rotatable bond
5
Aromatic rings
2
Download 2D Structure
Download 3D Structure
885
-
-
-
17323938
Dye_like_small_molecule_7b
Dye_like_small_molecule_7b
Property
Value
Molecule Weight
430.54
Acceptor count
4
Donor count
2
XLOGP
6.47
Rotatable bond
13
Aromatic rings
2
Download 2D Structure
Download 3D Structure
217
-
-
-
17323938
Dye_like_small_molecule_7c
Dye_like_small_molecule_7c
Property
Value
Molecule Weight
354.38
Acceptor count
6
Donor count
2
XLOGP
5.21
Rotatable bond
5
Aromatic rings
2
Download 2D Structure
Download 3D Structure
1050
-
-
-
17323938
Dye_like_small_molecule_7d
Dye_like_small_molecule_7d
Property
Value
Molecule Weight
756.83
Acceptor count
16
Donor count
6
XLOGP
5.27
Rotatable bond
29
Aromatic rings
2
Download 2D Structure
Download 3D Structure
34
-
-
-
17323938
Dye_like_small_molecule_8
Dye_like_small_molecule_8
Property
Value
Molecule Weight
301.39
Acceptor count
3
Donor count
3
XLOGP
3.61
Rotatable bond
5
Aromatic rings
2
Download 2D Structure
Download 3D Structure
280
-
-
-
17323938
Dye_like_small_molecule_9
Dye_like_small_molecule_9
Property
Value
Molecule Weight
504.5
Acceptor count
13
Donor count
6
XLOGP
5.97
Rotatable bond
10
Aromatic rings
4
Download 2D Structure
Download 3D Structure
92
-
-
-
17323938
Dye_like_small_molecule_6c
Dye_like_small_molecule_6c
Property
Value
Molecule Weight
647.9
Acceptor count
4
Donor count
2
XLOGP
7.38
Rotatable bond
4
Aromatic rings
2
Download 2D Structure
Download 3D Structure
1.4
-
-
-
17323938
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
1070
-
-
-
17323938
Allantodapsone
Allantodapsone
Property
Value
Molecule Weight
402.39
Acceptor count
9
Donor count
3
XLOGP
-0.21
Rotatable bond
6
Aromatic rings
2
Download 2D Structure
Download 3D Structure
1825
-
-
His tagged PRMT 1
20666457
Stilbamidine
Stilbamidine
Property
Value
Molecule Weight
264.33
Acceptor count
4
Donor count
4
XLOGP
2.94
Rotatable bond
6
Aromatic rings
2
Download 2D Structure
Download 3D Structure
1150
-
-
His tagged PRMT 1; with R4 peptide substrate
20666457
NSC_compound_1
NSC_compound_1
Property
Value
Molecule Weight
504.5
Acceptor count
13
Donor count
6
XLOGP
5.97
Rotatable bond
10
Aromatic rings
4
Download 2D Structure
Download 3D Structure
1.2
-
-
-
17432842
NSC_compound_2
NSC_compound_2
Property
Value
Molecule Weight
264.33
Acceptor count
4
Donor count
4
XLOGP
2.94
Rotatable bond
6
Aromatic rings
2
Download 2D Structure
Download 3D Structure
56.9
-
-
-
17432842
NSC_compound_3
NSC_compound_3
Property
Value
Molecule Weight
402.39
Acceptor count
9
Donor count
3
XLOGP
-0.21
Rotatable bond
6
Aromatic rings
2
Download 2D Structure
Download 3D Structure
1.7
-
-
-
17432842
NSC_compound_4
NSC_compound_4
Property
Value
Molecule Weight
195.33
Acceptor count
2
Donor count
1
XLOGP
2.34
Rotatable bond
7
Aromatic rings
1
Download 2D Structure
Download 3D Structure
56.5
-
-
-
17432842
NSC_compound_5
NSC_compound_5
Property
Value
Molecule Weight
239.28
Acceptor count
1
Donor count
2
XLOGP
2.02
Rotatable bond
4
Aromatic rings
3
Download 2D Structure
Download 3D Structure
89
-
-
-
17432842
NSC_compound_6
NSC_compound_6
Property
Value
Molecule Weight
243.27
Acceptor count
1
Donor count
3
XLOGP
0.33
Rotatable bond
5
Aromatic rings
3
Download 2D Structure
Download 3D Structure
54.8
-
-
-
17432842
NSC_compound_7
NSC_compound_7
Property
Value
Molecule Weight
251.14
Acceptor count
4
Donor count
3
XLOGP
4.34
Rotatable bond
5
Aromatic rings
1
Download 2D Structure
Download 3D Structure
35.4
-
-
-
17432842
NSC_compound_8
NSC_compound_8
Property
Value
Molecule Weight
220.19
Acceptor count
6
Donor count
4
XLOGP
0.83
Rotatable bond
4
Aromatic rings
2
Download 2D Structure
Download 3D Structure
76.1
-
-
-
17432842
RM_65
RM_65
Property
Value
Molecule Weight
596.77
Acceptor count
6
Donor count
2
XLOGP
6.57
Rotatable bond
13
Aromatic rings
4
Download 2D Structure
Download 3D Structure
55
-
-
-
17570663
Thioglycolic_amide_derivative_5
Thioglycolic_amide_derivative_5
Property
Value
Molecule Weight
596.77
Acceptor count
6
Donor count
2
XLOGP
6.57
Rotatable bond
13
Aromatic rings
4
Download 2D Structure
Download 3D Structure
55.4
-
-
-
17570663
Pyrazole_derivative1_7b
Pyrazole_derivative1_7b
Property
Value
Molecule Weight
445.44
Acceptor count
8
Donor count
3
XLOGP
3.27
Rotatable bond
12
Aromatic rings
3
Download 2D Structure
Download 3D Structure
25
-
-
-
18619839
Amine_derivative_5756663
Amine_derivative_5756663
Property
Value
Molecule Weight
259.31
Acceptor count
1
Donor count
2
XLOGP
3.72
Rotatable bond
2
Aromatic rings
4
Download 2D Structure
Download 3D Structure
14.34
-
-
-
19085993
Amine_derivative_5784982
Amine_derivative_5784982
Property
Value
Molecule Weight
246.27
Acceptor count
4
Donor count
2
XLOGP
1.39
Rotatable bond
6
Aromatic rings
1
Download 2D Structure
Download 3D Structure
33.63
-
-
-
19085993
Amine_derivative_6000016
Amine_derivative_6000016
Property
Value
Molecule Weight
239.28
Acceptor count
3
Donor count
4
XLOGP
0.94
Rotatable bond
4
Aromatic rings
3
Download 2D Structure
Download 3D Structure
33.81
-
-
-
19085993
Amine_derivative_7112201
Amine_derivative_7112201
Property
Value
Molecule Weight
300.34
Acceptor count
3
Donor count
2
XLOGP
3.11
Rotatable bond
6
Aromatic rings
3
Download 2D Structure
Download 3D Structure
36.74
-
-
-
19085993
Amine_derivative_7155176
Amine_derivative_7155176
Property
Value
Molecule Weight
334.79
Acceptor count
3
Donor count
2
XLOGP
3.73
Rotatable bond
6
Aromatic rings
3
Download 2D Structure
Download 3D Structure
21.88
-
-
-
19085993
Sulfonamide_derivative_6689772
Sulfonamide_derivative_6689772
Property
Value
Molecule Weight
280.39
Acceptor count
5
Donor count
2
XLOGP
0.44
Rotatable bond
6
Aromatic rings
1
Download 2D Structure
Download 3D Structure
16.93
-
-
-
19085993
Sulfonamide_derivative_7280948
Sulfonamide_derivative_7280948
Property
Value
Molecule Weight
276.36
Acceptor count
5
Donor count
2
XLOGP
0.89
Rotatable bond
6
Aromatic rings
2
Download 2D Structure
Download 3D Structure
12.75
-
-
-
19085993
Sulfonamide_derivative_7736382
Sulfonamide_derivative_7736382
Property
Value
Molecule Weight
276.36
Acceptor count
5
Donor count
1
XLOGP
0
Rotatable bond
6
Aromatic rings
2
Download 2D Structure
Download 3D Structure
29.91
-
-
-
19085993
Sulfonamide_derivative_7789734
Sulfonamide_derivative_7789734
Property
Value
Molecule Weight
318.4
Acceptor count
6
Donor count
2
XLOGP
0.6
Rotatable bond
8
Aromatic rings
2
Download 2D Structure
Download 3D Structure
15.34
-
-
-
19085993
Pyrazole_carboxamide_derivative_7a
Pyrazole_carboxamide_derivative_7a
Property
Value
Molecule Weight
475.47
Acceptor count
9
Donor count
3
XLOGP
3.23
Rotatable bond
14
Aromatic rings
3
Download 2D Structure
Download 3D Structure
100
-
-
-
19131248
Benzoimidazole_derivative_17b
Benzoimidazole_derivative_17b
Property
Value
Molecule Weight
408.54
Acceptor count
3
Donor count
2
XLOGP
3.65
Rotatable bond
11
Aromatic rings
3
Download 2D Structure
Download 3D Structure
25
-
-
-
19632837
hPRMT1_1
hPRMT1_1
Property
Value
Molecule Weight
318.4
Acceptor count
6
Donor count
2
XLOGP
0.6
Rotatable bond
8
Aromatic rings
2
Download 2D Structure
Download 3D Structure
15
-
-
-
19739196
hPRMT1_2
hPRMT1_2
Property
Value
Molecule Weight
663.94
Acceptor count
6
Donor count
4
XLOGP
6.32
Rotatable bond
8
Aromatic rings
3
Download 2D Structure
Download 3D Structure
ND
-
-
-
19739196
imidazolylbenzenamine_der1
imidazolylbenzenamine_der1
Property
Value
Molecule Weight
259.31
Acceptor count
1
Donor count
2
XLOGP
3.72
Rotatable bond
2
Aromatic rings
4
Download 2D Structure
Download 3D Structure
14
-
-
-
19739196
Phenethylbenzenesulfonamide_der1
Phenethylbenzenesulfonamide_der1
Property
Value
Molecule Weight
276.36
Acceptor count
5
Donor count
2
XLOGP
0.89
Rotatable bond
6
Aromatic rings
2
Download 2D Structure
Download 3D Structure
13
-
-
-
19739196
xanthen_yl_benzoic_acid_der1
xanthen_yl_benzoic_acid_der1
Property
Value
Molecule Weight
741.81
Acceptor count
5
Donor count
3
XLOGP
7.43
Rotatable bond
5
Aromatic rings
2
Download 2D Structure
Download 3D Structure
5
-
-
-
19739196
Diamine_based_inhibitor_12
Diamine_based_inhibitor_12
Property
Value
Molecule Weight
461.49
Acceptor count
8
Donor count
3
XLOGP
3.68
Rotatable bond
14
Aromatic rings
3
Download 2D Structure
Download 3D Structure
100
-
-
-
19836951
Bisubstrate_based_derivative1_15
Bisubstrate_based_derivative1_15
Property
Value
Molecule Weight
466.5
Acceptor count
10
Donor count
8
XLOGP
-5.21
Rotatable bond
18
Aromatic rings
2
Download 2D Structure
Download 3D Structure
6.2
-
-
-
20219369
Bisubstrate_based_derivative1_16
Bisubstrate_based_derivative1_16
Property
Value
Molecule Weight
480.53
Acceptor count
10
Donor count
8
XLOGP
-4.76
Rotatable bond
19
Aromatic rings
2
Download 2D Structure
Download 3D Structure
2.9
-
-
-
20219369
Bisubstrate_based_derivative1_17
Bisubstrate_based_derivative1_17
Property
Value
Molecule Weight
494.55
Acceptor count
10
Donor count
8
XLOGP
-4.31
Rotatable bond
20
Aromatic rings
2
Download 2D Structure
Download 3D Structure
5.6
-
-
-
20219369
AMI_1_analogue_1
AMI_1_analogue_1
Property
Value
Molecule Weight
395.37
Acceptor count
9
Donor count
2
XLOGP
0
Rotatable bond
8
Aromatic rings
3
Download 2D Structure
Download 3D Structure
397.3
-
-
-
20345902
AMI_1_analogue_2
AMI_1_analogue_2
Property
Value
Molecule Weight
617.61
Acceptor count
11
Donor count
2
XLOGP
0
Rotatable bond
12
Aromatic rings
5
Download 2D Structure
Download 3D Structure
332.5
-
-
-
20345902
AMI_1_analogue_3
AMI_1_analogue_3
Property
Value
Molecule Weight
637.71
Acceptor count
11
Donor count
2
XLOGP
9.46
Rotatable bond
15
Aromatic rings
5
Download 2D Structure
Download 3D Structure
No inhibition
-
-
-
20345902
AMI_1_analogue_4
AMI_1_analogue_4
Property
Value
Molecule Weight
543.32
Acceptor count
9
Donor count
2
XLOGP
0
Rotatable bond
9
Aromatic rings
4
Download 2D Structure
Download 3D Structure
4.15
-
-
-
20345902
AMI_1_analogue_5
AMI_1_analogue_5
Property
Value
Molecule Weight
563.42
Acceptor count
9
Donor count
2
XLOGP
8.69
Rotatable bond
12
Aromatic rings
4
Download 2D Structure
Download 3D Structure
56.7
-
-
-
20345902
NS8
NS8
Property
Value
Molecule Weight
503.49
Acceptor count
16
Donor count
5
XLOGP
6.38
Rotatable bond
10
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
no inhibition at 2mM
-
His tagged PRMT 1; with R4 peptide substrate
20666457
NS8
NS8
Property
Value
Molecule Weight
503.49
Acceptor count
16
Donor count
5
XLOGP
6.38
Rotatable bond
10
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
no inhibition at 2mM
-
His tagged PRMT 1; with R4 peptide substrate
20666457
NS9
NS9
Property
Value
Molecule Weight
312.39
Acceptor count
5
Donor count
2
XLOGP
2.42
Rotatable bond
5
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
no inhibition at 2mM
-
His tagged PRMT 1; with R4 peptide substrate
20666457
NS9
NS9
Property
Value
Molecule Weight
312.39
Acceptor count
5
Donor count
2
XLOGP
2.42
Rotatable bond
5
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
no inhibition at 2mM
-
His tagged PRMT 1; with R4 peptide substrate
20666457
5252870
5252870
Property
Value
Molecule Weight
364.4
Acceptor count
8
Donor count
1
XLOGP
6.49
Rotatable bond
5
Aromatic rings
3
Download 2D Structure
Download 3D Structure
1029
-
-
His tagged PRMT 1
20666457
NS1
NS1
Property
Value
Molecule Weight
769.77
Acceptor count
19
Donor count
7
XLOGP
8.94
Rotatable bond
17
Aromatic rings
6
Download 2D Structure
Download 3D Structure
12.9
-
-
GST tagged PRMT 1; with H4 peptide substrate
20666457
NS1
NS1
Property
Value
Molecule Weight
769.77
Acceptor count
19
Donor count
7
XLOGP
8.94
Rotatable bond
17
Aromatic rings
6
Download 2D Structure
Download 3D Structure
12.9
-
-
GST tagged PRMT 1; with H4 peptide substrate
20666457
NS1
NS1
Property
Value
Molecule Weight
769.77
Acceptor count
19
Donor count
7
XLOGP
8.94
Rotatable bond
17
Aromatic rings
6
Download 2D Structure
Download 3D Structure
12.9
-
-
GST tagged PRMT 1; with H4 peptide substrate
20666457
NS2
NS2
Property
Value
Molecule Weight
528.54
Acceptor count
15
Donor count
3
XLOGP
5.91
Rotatable bond
11
Aromatic rings
3
Download 2D Structure
Download 3D Structure
108.4
-
-
His tagged PRMT 1; with R4 peptide substrate
20666457
NS2
NS2
Property
Value
Molecule Weight
528.54
Acceptor count
15
Donor count
3
XLOGP
5.91
Rotatable bond
11
Aromatic rings
3
Download 2D Structure
Download 3D Structure
108.4
-
-
His tagged PRMT 1; with R4 peptide substrate
20666457
NS2
NS2
Property
Value
Molecule Weight
528.54
Acceptor count
15
Donor count
3
XLOGP
5.91
Rotatable bond
11
Aromatic rings
3
Download 2D Structure
Download 3D Structure
108.4
-
-
His tagged PRMT 1; with R4 peptide substrate
20666457
NS3
NS3
Property
Value
Molecule Weight
650.6
Acceptor count
21
Donor count
7
XLOGP
9.07
Rotatable bond
13
Aromatic rings
4
Download 2D Structure
Download 3D Structure
463.1
-
-
His tagged PRMT 1; with R4 peptide substrate
20666457
NS3
NS3
Property
Value
Molecule Weight
650.6
Acceptor count
21
Donor count
7
XLOGP
9.07
Rotatable bond
13
Aromatic rings
4
Download 2D Structure
Download 3D Structure
463.1
-
-
His tagged PRMT 1; with R4 peptide substrate
20666457
NS3
NS3
Property
Value
Molecule Weight
650.6
Acceptor count
21
Donor count
7
XLOGP
9.07
Rotatable bond
13
Aromatic rings
4
Download 2D Structure
Download 3D Structure
463.1
-
-
His tagged PRMT 1; with R4 peptide substrate
20666457
5149554
5149554
Property
Value
Molecule Weight
327.36
Acceptor count
6
Donor count
2
XLOGP
5.02
Rotatable bond
5
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
86.9 % at 500 µM
-
His tagged PRMT 1
20666457
5221275
5221275
Property
Value
Molecule Weight
452.42
Acceptor count
13
Donor count
4
XLOGP
6.49
Rotatable bond
9
Aromatic rings
3
Download 2D Structure
Download 3D Structure
1063
-
-
His tagged PRMT 1
20666457
5252886
5252886
Property
Value
Molecule Weight
253.28
Acceptor count
6
Donor count
3
XLOGP
3.42
Rotatable bond
5
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
55.7% at 2 mM
-
His tagged PRMT 1
20666457
5252887
5252887
Property
Value
Molecule Weight
421.45
Acceptor count
10
Donor count
2
XLOGP
5.82
Rotatable bond
8
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
71.4 % at 500 µM
-
His tagged PRMT 1
20666457
5374918
5374918
Property
Value
Molecule Weight
419.48
Acceptor count
9
Donor count
2
XLOGP
0
Rotatable bond
7
Aromatic rings
3
Download 2D Structure
Download 3D Structure
1458
-
-
His tagged PRMT 1
20666457
5756663
5756663
Property
Value
Molecule Weight
259.31
Acceptor count
1
Donor count
2
XLOGP
3.72
Rotatable bond
2
Aromatic rings
4
Download 2D Structure
Download 3D Structure
-
87% at 2 mM
-
His tagged PRMT 1
20666457
NS4
NS4
Property
Value
Molecule Weight
315.35
Acceptor count
6
Donor count
3
XLOGP
5.03
Rotatable bond
5
Aromatic rings
3
Download 2D Structure
Download 3D Structure
227.8
-
-
His tagged PRMT 1; with R4 peptide substrate
20666457
NS4
NS4
Property
Value
Molecule Weight
315.35
Acceptor count
6
Donor count
3
XLOGP
5.03
Rotatable bond
5
Aromatic rings
3
Download 2D Structure
Download 3D Structure
227.8
-
-
His tagged PRMT 1; with R4 peptide substrate
20666457
NS4
NS4
Property
Value
Molecule Weight
315.35
Acceptor count
6
Donor count
3
XLOGP
5.03
Rotatable bond
5
Aromatic rings
3
Download 2D Structure
Download 3D Structure
227.8
-
-
His tagged PRMT 1; with R4 peptide substrate
20666457
NS5
NS5
Property
Value
Molecule Weight
396.25
Acceptor count
6
Donor count
2
XLOGP
6.19
Rotatable bond
5
Aromatic rings
3
Download 2D Structure
Download 3D Structure
1200
-
-
His tagged PRMT 1; with R4 peptide substrate
20666457
NS5
NS5
Property
Value
Molecule Weight
396.25
Acceptor count
6
Donor count
2
XLOGP
6.19
Rotatable bond
5
Aromatic rings
3
Download 2D Structure
Download 3D Structure
1200
-
-
His tagged PRMT 1; with R4 peptide substrate
20666457
7280948_CMC2
7280948_CMC2
Property
Value
Molecule Weight
276.36
Acceptor count
5
Donor count
2
XLOGP
0.89
Rotatable bond
6
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
no inhibition at 2mM
-
His tagged PRMT 1
20666457
NS6
NS6
Property
Value
Molecule Weight
361.81
Acceptor count
6
Donor count
2
XLOGP
5.57
Rotatable bond
5
Aromatic rings
3
Download 2D Structure
Download 3D Structure
595.8
-
-
His tagged PRMT 1; with R4 peptide substrate
20666457
NS6
NS6
Property
Value
Molecule Weight
361.81
Acceptor count
6
Donor count
2
XLOGP
5.57
Rotatable bond
5
Aromatic rings
3
Download 2D Structure
Download 3D Structure
595.8
-
-
His tagged PRMT 1; with R4 peptide substrate
20666457
NS7
NS7
Property
Value
Molecule Weight
518.87
Acceptor count
16
Donor count
5
XLOGP
5.69
Rotatable bond
10
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
no inhibition at 2mM
-
His tagged PRMT 1; with R4 peptide substrate
20666457
NS7
NS7
Property
Value
Molecule Weight
518.87
Acceptor count
16
Donor count
5
XLOGP
5.69
Rotatable bond
10
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
no inhibition at 2mM
-
His tagged PRMT 1; with R4 peptide substrate
20666457
Allantodapsone
Allantodapsone
Property
Value
Molecule Weight
402.39
Acceptor count
9
Donor count
3
XLOGP
-0.21
Rotatable bond
6
Aromatic rings
2
Download 2D Structure
Download 3D Structure
1825
-
-
His tagged PRMT 1
20666457
Stilbamidine
Stilbamidine
Property
Value
Molecule Weight
264.33
Acceptor count
4
Donor count
4
XLOGP
2.94
Rotatable bond
6
Aromatic rings
2
Download 2D Structure
Download 3D Structure
1150
-
-
His tagged PRMT 1; with R4 peptide substrate
20666457
Stilbamidine
Stilbamidine
Property
Value
Molecule Weight
264.33
Acceptor count
4
Donor count
4
XLOGP
2.94
Rotatable bond
6
Aromatic rings
2
Download 2D Structure
Download 3D Structure
1150
-
-
His tagged PRMT 1; with R4 peptide substrate
20666457
Stilbamidine
Stilbamidine
Property
Value
Molecule Weight
264.33
Acceptor count
4
Donor count
4
XLOGP
2.94
Rotatable bond
6
Aromatic rings
2
Download 2D Structure
Download 3D Structure
1150
-
-
His tagged PRMT 1; with R4 peptide substrate
20666457
suramin
suramin
Property
Value
Molecule Weight
1297.3
Acceptor count
35
Donor count
12
XLOGP
14.36
Rotatable bond
30
Aromatic rings
8
Download 2D Structure
Download 3D Structure
1011
-
-
-
20666457
suramin
suramin
Property
Value
Molecule Weight
1297.3
Acceptor count
35
Donor count
12
XLOGP
14.36
Rotatable bond
30
Aromatic rings
8
Download 2D Structure
Download 3D Structure
1011
-
-
-
20666457
Peptide_R11
Peptide_R11
Property
Value
Molecule Weight
216.33
Acceptor count
5
Donor count
4
XLOGP
-0.15
Rotatable bond
13
Aromatic rings
0
Download 2D Structure
Download 3D Structure
29 | 56.5
-
-
Ic50 value through AdoHcy production measure | Ic50 value through MMA and aDMA production measure
20701328
Peptide_R12
Peptide_R12
Property
Value
Molecule Weight
234.32
Acceptor count
6
Donor count
4
XLOGP
-0.53
Rotatable bond
13
Aromatic rings
0
Download 2D Structure
Download 3D Structure
19.2 | 39.4
-
-
Ic50 value through AdoHcy production measure | Ic50 value through MMA and aDMA production measure
20701328
Peptide_R13
Peptide_R13
Property
Value
Molecule Weight
252.31
Acceptor count
7
Donor count
4
XLOGP
-0.11
Rotatable bond
13
Aromatic rings
0
Download 2D Structure
Download 3D Structure
17 | 28.5
-
-
Ic50 value through AdoHcy production measure | Ic50 value through MMA and aDMA production measure
20701328
Peptide_R14
Peptide_R14
Property
Value
Molecule Weight
270.3
Acceptor count
8
Donor count
4
XLOGP
0.25
Rotatable bond
13
Aromatic rings
0
Download 2D Structure
Download 3D Structure
13.9 | 27.5
-
-
Ic50 value through AdoHcy production measure | Ic50 value through MMA and aDMA production measure
20701328
Peptide_R1aDMA
Peptide_R1aDMA
Property
Value
Molecule Weight
216.33
Acceptor count
5
Donor count
3
XLOGP
-0.25
Rotatable bond
13
Aromatic rings
0
Download 2D Structure
Download 3D Structure
74.4
-
-
Ic50 value through AdoHcy production measure | Ic50 value through MMA and aDMA production measure
20701328
Peptide_R1sDMA
Peptide_R1sDMA
Property
Value
Molecule Weight
202.3
Acceptor count
5
Donor count
4
XLOGP
-0.56
Rotatable bond
12
Aromatic rings
0
Download 2D Structure
Download 3D Structure
350
-
-
Ic50 value through AdoHcy production measure | Ic50 value through MMA and aDMA production measure
20701328
UNC0638
UNC0638
Property
Value
Molecule Weight
509.74
Acceptor count
3
Donor count
1
XLOGP
6.02
Rotatable bond
13
Aromatic rings
2
Download 2D Structure
Download 3D Structure
10
-
-
-
21743462
SAM_SAH_based_inhibitors_1
SAM_SAH_based_inhibitors_1
Property
Value
Molecule Weight
398.44
Acceptor count
7
Donor count
5
XLOGP
-3.95
Rotatable bond
13
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
-
-
-
21936531
SAM_SAH_based_inhibitors_2
SAM_SAH_based_inhibitors_2
Property
Value
Molecule Weight
474.54
Acceptor count
7
Donor count
5
XLOGP
-2.22
Rotatable bond
14
Aromatic rings
3
Download 2D Structure
Download 3D Structure
21.2
-
-
-
21936531
SAM_SAH_based_inhibitors_3
SAM_SAH_based_inhibitors_3
Property
Value
Molecule Weight
521.32
Acceptor count
7
Donor count
5
XLOGP
-3.75
Rotatable bond
14
Aromatic rings
2
Download 2D Structure
Download 3D Structure
22
-
-
-
21936531
SAM_SAH_based_inhibitors_4
SAM_SAH_based_inhibitors_4
Property
Value
Molecule Weight
535.35
Acceptor count
7
Donor count
5
XLOGP
-3.3
Rotatable bond
15
Aromatic rings
2
Download 2D Structure
Download 3D Structure
2.7
-
-
-
21936531
SAM_SAH_based_inhibitors_5
SAM_SAH_based_inhibitors_5
Property
Value
Molecule Weight
549.37
Acceptor count
7
Donor count
5
XLOGP
-2.82
Rotatable bond
16
Aromatic rings
2
Download 2D Structure
Download 3D Structure
100
-
-
-
21936531
SAM_SAH_based_inhibitors_6
SAM_SAH_based_inhibitors_6
Property
Value
Molecule Weight
625.47
Acceptor count
7
Donor count
5
XLOGP
-1.09
Rotatable bond
17
Aromatic rings
3
Download 2D Structure
Download 3D Structure
100
-
-
-
21936531
SAM_SAH_based_inhibitors_SAH
SAM_SAH_based_inhibitors_SAH
Property
Value
Molecule Weight
384.42
Acceptor count
7
Donor count
5
XLOGP
-4.43
Rotatable bond
12
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
-
-
-
21936531
Guanidinobutyl_analog_16
Guanidinobutyl_analog_16
Property
Value
Molecule Weight
452.47
Acceptor count
10
Donor count
8
XLOGP
-5
Rotatable bond
17
Aromatic rings
2
Download 2D Structure
Download 3D Structure
6.2
-
-
-
21952734
Guanidinopentyl_analog_17
Guanidinopentyl_analog_17
Property
Value
Molecule Weight
466.5
Acceptor count
10
Donor count
8
XLOGP
-4.55
Rotatable bond
18
Aromatic rings
2
Download 2D Structure
Download 3D Structure
2.9
-
-
-
21952734
Guanidinohexyl_analog_18
Guanidinohexyl_analog_18
Property
Value
Molecule Weight
480.53
Acceptor count
10
Donor count
8
XLOGP
-4.1
Rotatable bond
19
Aromatic rings
2
Download 2D Structure
Download 3D Structure
5.6
-
-
-
21952734
Aminopropyl_analog_19
Aminopropyl_analog_19
Property
Value
Molecule Weight
424.46
Acceptor count
8
Donor count
7
XLOGP
-5.05
Rotatable bond
16
Aromatic rings
2
Download 2D Structure
Download 3D Structure
3.9
-
-
-
21952734
Tetrahydrofuranyl_derivative_20
Tetrahydrofuranyl_derivative_20
Property
Value
Molecule Weight
486.49
Acceptor count
10
Donor count
8
XLOGP
-4.1
Rotatable bond
15
Aromatic rings
3
Download 2D Structure
Download 3D Structure
14.5
-
-
-
21952734
Guanidinopropyl_analog_21
Guanidinopropyl_analog_21
Property
Value
Molecule Weight
451.49
Acceptor count
9
Donor count
8
XLOGP
-1.76
Rotatable bond
17
Aromatic rings
2
Download 2D Structure
Download 3D Structure
100
-
-
-
21952734
Guanidinopropyl_analog_22
Guanidinopropyl_analog_22
Property
Value
Molecule Weight
422.49
Acceptor count
8
Donor count
8
XLOGP
-2.2
Rotatable bond
16
Aromatic rings
2
Download 2D Structure
Download 3D Structure
2.2
-
-
-
21952734
Aminopropyl_analog_23
Aminopropyl_analog_23
Property
Value
Molecule Weight
380.45
Acceptor count
6
Donor count
5
XLOGP
-2.49
Rotatable bond
14
Aromatic rings
2
Download 2D Structure
Download 3D Structure
1.5
-
-
-
21952734
Guanidinopropyl_analog_24
Guanidinopropyl_analog_24
Property
Value
Molecule Weight
464.53
Acceptor count
10
Donor count
9
XLOGP
-2.36
Rotatable bond
18
Aromatic rings
2
Download 2D Structure
Download 3D Structure
2.1
-
-
-
21952734
Trimethine_cyanine_compound_11
Trimethine_cyanine_compound_11
Property
Value
Molecule Weight
401.53
Acceptor count
0
Donor count
0
XLOGP
0
Rotatable bond
6
Aromatic rings
3
Download 2D Structure
Download 3D Structure
4.1
-
-
-
22749641
Trimethine_cyanine_compound_12
Trimethine_cyanine_compound_12
Property
Value
Molecule Weight
457.64
Acceptor count
0
Donor count
0
XLOGP
0
Rotatable bond
10
Aromatic rings
3
Download 2D Structure
Download 3D Structure
12
-
-
-
22749641
Trimethine_cyanine_compound_13
Trimethine_cyanine_compound_13
Property
Value
Molecule Weight
581.78
Acceptor count
0
Donor count
0
XLOGP
0
Rotatable bond
10
Aromatic rings
5
Download 2D Structure
Download 3D Structure
15.5
-
-
-
22749641
Trimethine_cyanine_compound_22
Trimethine_cyanine_compound_22
Property
Value
Molecule Weight
385.57
Acceptor count
0
Donor count
0
XLOGP
0
Rotatable bond
10
Aromatic rings
2
Download 2D Structure
Download 3D Structure
284.2
-
-
-
22749641
Trimethine_cyanine_compound_23
Trimethine_cyanine_compound_23
Property
Value
Molecule Weight
441.68
Acceptor count
0
Donor count
0
XLOGP
0
Rotatable bond
14
Aromatic rings
2
Download 2D Structure
Download 3D Structure
160.8
-
-
-
22749641
Trimethine_cyanine_compound_24
Trimethine_cyanine_compound_24
Property
Value
Molecule Weight
565.82
Acceptor count
0
Donor count
0
XLOGP
0
Rotatable bond
14
Aromatic rings
4
Download 2D Structure
Download 3D Structure
6.3
-
-
-
22749641
Trimethine_cyanine_compound_25
Trimethine_cyanine_compound_25
Property
Value
Molecule Weight
485.69
Acceptor count
0
Donor count
0
XLOGP
0
Rotatable bond
10
Aromatic rings
4
Download 2D Structure
Download 3D Structure
20.3
-
-
-
22749641
Trimethine_cyanine_compound_26
Trimethine_cyanine_compound_26
Property
Value
Molecule Weight
541.8
Acceptor count
0
Donor count
0
XLOGP
0
Rotatable bond
14
Aromatic rings
4
Download 2D Structure
Download 3D Structure
18
-
-
-
22749641
Trimethine_cyanine_compound_27
Trimethine_cyanine_compound_27
Property
Value
Molecule Weight
665.94
Acceptor count
0
Donor count
0
XLOGP
0
Rotatable bond
14
Aromatic rings
6
Download 2D Structure
Download 3D Structure
14.3
-
-
-
22749641
Trimethine_cyanine_compound_28
Trimethine_cyanine_compound_28
Property
Value
Molecule Weight
529.83
Acceptor count
2
Donor count
0
XLOGP
0
Rotatable bond
20
Aromatic rings
2
Download 2D Structure
Download 3D Structure
368.3
-
-
-
22749641
Trimethine_cyanine_compound_29
Trimethine_cyanine_compound_29
Property
Value
Molecule Weight
687.62
Acceptor count
2
Donor count
0
XLOGP
0
Rotatable bond
20
Aromatic rings
2
Download 2D Structure
Download 3D Structure
291.7
-
-
-
22749641
Trimethine_cyanine_compound_30
Trimethine_cyanine_compound_30
Property
Value
Molecule Weight
418
Acceptor count
0
Donor count
0
XLOGP
0
Rotatable bond
9
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
20% inhibition at 100 µM
-
-
22749641
Trimethine_cyanine_compound_31
Trimethine_cyanine_compound_31
Property
Value
Molecule Weight
443.61
Acceptor count
2
Donor count
0
XLOGP
0
Rotatable bond
13
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
5% inhibition at 100 µM
-
-
22749641
A9
A9
Property
Value
Molecule Weight
447.47
Acceptor count
9
Donor count
2
XLOGP
6.66
Rotatable bond
7
Aromatic rings
3
Download 2D Structure
Download 3D Structure
41.7
-
-
-
22928876
A36
A36
Property
Value
Molecule Weight
552.59
Acceptor count
7
Donor count
4
XLOGP
7.2
Rotatable bond
10
Aromatic rings
6
Download 2D Structure
Download 3D Structure
12
-
-
-
22928876
A18
A18
Property
Value
Molecule Weight
341.45
Acceptor count
3
Donor count
1
XLOGP
0
Rotatable bond
5
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
48% inhibition at 100 µM
-
-
22928876
A56
A56
Property
Value
Molecule Weight
391.41
Acceptor count
7
Donor count
2
XLOGP
2.44
Rotatable bond
8
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
51% inhibition at 100 µM
-
-
22928876
A44
A44
Property
Value
Molecule Weight
301.39
Acceptor count
3
Donor count
1
XLOGP
0
Rotatable bond
3
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
42% inhibition at 100 µM
-
-
22928876
A69
A69
Property
Value
Molecule Weight
419.55
Acceptor count
7
Donor count
2
XLOGP
0
Rotatable bond
9
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
52% inhibition at 100 µM
-
-
22928876
Bischloroacetyl_amide_derivative1_28
Bischloroacetyl_amide_derivative1_28
Property
Value
Molecule Weight
401.27
Acceptor count
7
Donor count
2
XLOGP
2.36
Rotatable bond
8
Aromatic rings
2
Download 2D Structure
Download 3D Structure
1.5
-
-
-
24300735
Pyridone_based_hydroxamic_acids1_29
Pyridone_based_hydroxamic_acids1_29
Property
Value
Molecule Weight
348.4
Acceptor count
4
Donor count
2
XLOGP
3.65
Rotatable bond
8
Aromatic rings
2
Download 2D Structure
Download 3D Structure
0.07
-
-
-
24300735
Amidine_derivative_1
Amidine_derivative_1
Property
Value
Molecule Weight
304.35
Acceptor count
4
Donor count
4
XLOGP
3.05
Rotatable bond
6
Aromatic rings
3
Download 2D Structure
Download 3D Structure
9.4
-
-
-
24564570
Amidine_derivative_2
Amidine_derivative_2
Property
Value
Molecule Weight
658.76
Acceptor count
6
Donor count
4
XLOGP
8.61
Rotatable bond
15
Aromatic rings
6
Download 2D Structure
Download 3D Structure
-
-
-
-
24564570
Amidine_derivative_3
Amidine_derivative_3
Property
Value
Molecule Weight
367.31
Acceptor count
4
Donor count
4
XLOGP
0
Rotatable bond
9
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
-
-
-
24564570
Amidine_derivative_4
Amidine_derivative_4
Property
Value
Molecule Weight
320.42
Acceptor count
4
Donor count
4
XLOGP
3.68
Rotatable bond
6
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
-
-
-
24564570
Amidine_derivative_5
Amidine_derivative_5
Property
Value
Molecule Weight
305.34
Acceptor count
4
Donor count
4
XLOGP
1.65
Rotatable bond
6
Aromatic rings
3
Download 2D Structure
Download 3D Structure
7.2
-
-
-
24564570
Amidine_derivative_6
Amidine_derivative_6
Property
Value
Molecule Weight
303.37
Acceptor count
4
Donor count
5
XLOGP
3.2
Rotatable bond
6
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
-
-
-
24564570
Amidine_derivative_7
Amidine_derivative_7
Property
Value
Molecule Weight
306.33
Acceptor count
4
Donor count
4
XLOGP
0.26
Rotatable bond
6
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
-
-
-
24564570
Amidine_derivative_8
Amidine_derivative_8
Property
Value
Molecule Weight
376.53
Acceptor count
2
Donor count
2
XLOGP
4.02
Rotatable bond
6
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
-
-
-
24564570
Amidine_derivative_9
Amidine_derivative_9
Property
Value
Molecule Weight
440.59
Acceptor count
4
Donor count
4
XLOGP
6.95
Rotatable bond
8
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
-
-
-
24564570
Amidine_derivative_10
Amidine_derivative_10
Property
Value
Molecule Weight
305.34
Acceptor count
4
Donor count
4
XLOGP
1.65
Rotatable bond
6
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
-
-
-
24564570
Amidine_derivative_11
Amidine_derivative_11
Property
Value
Molecule Weight
305.34
Acceptor count
4
Donor count
4
XLOGP
1.65
Rotatable bond
6
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
-
-
-
24564570
Amidine_derivative_12
Amidine_derivative_12
Property
Value
Molecule Weight
412.53
Acceptor count
4
Donor count
4
XLOGP
5.58
Rotatable bond
10
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
-
-
-
24564570
Amidine_derivative_13
Amidine_derivative_13
Property
Value
Molecule Weight
336.4
Acceptor count
5
Donor count
4
XLOGP
1.34
Rotatable bond
6
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
-
-
-
24564570
Amidine_derivative_14
Amidine_derivative_14
Property
Value
Molecule Weight
308.4
Acceptor count
3
Donor count
2
XLOGP
4.4
Rotatable bond
6
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
-
-
-
24564570
Amidine_derivative_15
Amidine_derivative_15
Property
Value
Molecule Weight
304.35
Acceptor count
4
Donor count
4
XLOGP
3.05
Rotatable bond
6
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
-
-
-
24564570
Amidine_derivative_16
Amidine_derivative_16
Property
Value
Molecule Weight
304.35
Acceptor count
4
Donor count
4
XLOGP
2.85
Rotatable bond
6
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
-
-
-
24564570
Amidine_derivative_17
Amidine_derivative_17
Property
Value
Molecule Weight
318.38
Acceptor count
4
Donor count
4
XLOGP
3.53
Rotatable bond
7
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
-
-
-
24564570
Amidine_derivative_18
Amidine_derivative_18
Property
Value
Molecule Weight
468.64
Acceptor count
4
Donor count
4
XLOGP
7.85
Rotatable bond
8
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
-
-
-
24564570
Amidine_derivative_19
Amidine_derivative_19
Property
Value
Molecule Weight
321.41
Acceptor count
4
Donor count
4
XLOGP
2.69
Rotatable bond
6
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
-
-
-
24564570
Amidine_derivative_20
Amidine_derivative_20
Property
Value
Molecule Weight
321.43
Acceptor count
5
Donor count
4
XLOGP
2.84
Rotatable bond
9
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
-
-
-
24564570
Amidine_derivative_21
Amidine_derivative_21
Property
Value
Molecule Weight
340.33
Acceptor count
6
Donor count
4
XLOGP
3.25
Rotatable bond
6
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
-
-
-
24564570
Amidine_derivative_22
Amidine_derivative_22
Property
Value
Molecule Weight
440.59
Acceptor count
0
Donor count
2
XLOGP
5.35
Rotatable bond
8
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
-
-
-
24564570
Amidine_derivative_23
Amidine_derivative_23
Property
Value
Molecule Weight
296.37
Acceptor count
4
Donor count
4
XLOGP
0.21
Rotatable bond
6
Aromatic rings
0
Download 2D Structure
Download 3D Structure
-
-
-
-
24564570
Amidine_derivative_24
Amidine_derivative_24
Property
Value
Molecule Weight
293.33
Acceptor count
3
Donor count
2
XLOGP
2.37
Rotatable bond
6
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
-
-
-
24564570
Amidine_derivative_25
Amidine_derivative_25
Property
Value
Molecule Weight
305.34
Acceptor count
4
Donor count
3
XLOGP
2.65
Rotatable bond
6
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
-
-
-
24564570
Amidine_derivative_26
Amidine_derivative_26
Property
Value
Molecule Weight
456.55
Acceptor count
4
Donor count
4
XLOGP
7.23
Rotatable bond
8
Aromatic rings
5
Download 2D Structure
Download 3D Structure
-
-
-
-
24564570
Amidine_derivative_27
Amidine_derivative_27
Property
Value
Molecule Weight
316.37
Acceptor count
4
Donor count
4
XLOGP
1.21
Rotatable bond
6
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
-
-
-
24564570
Amidine_derivative_28
Amidine_derivative_28
Property
Value
Molecule Weight
379.46
Acceptor count
4
Donor count
4
XLOGP
4.88
Rotatable bond
7
Aromatic rings
4
Download 2D Structure
Download 3D Structure
-
-
-
-
24564570
Amidine_derivative_29
Amidine_derivative_29
Property
Value
Molecule Weight
244.32
Acceptor count
4
Donor count
4
XLOGP
1.77
Rotatable bond
5
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
-
-
-
24564570
Amidine_derivative_30
Amidine_derivative_30
Property
Value
Molecule Weight
308.3
Acceptor count
4
Donor count
4
XLOGP
-2.53
Rotatable bond
6
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
-
-
-
24564570
SAM_Competitive_inhibitors_3_GSK926
SAM_Competitive_inhibitors_3_GSK926
Property
Value
Molecule Weight
513.64
Acceptor count
3
Donor count
2
XLOGP
3.19
Rotatable bond
12
Aromatic rings
3
Download 2D Structure
Download 3D Structure
100
-
-
-
24900432
SAM_Competitive_inhibitors_4
SAM_Competitive_inhibitors_4
Property
Value
Molecule Weight
541.7
Acceptor count
3
Donor count
2
XLOGP
4.06
Rotatable bond
14
Aromatic rings
3
Download 2D Structure
Download 3D Structure
100
-
-
-
24900432
SAM_Competitive_inhibitors_6_GSK343
SAM_Competitive_inhibitors_6_GSK343
Property
Value
Molecule Weight
541.7
Acceptor count
3
Donor count
2
XLOGP
4.06
Rotatable bond
14
Aromatic rings
3
Download 2D Structure
Download 3D Structure
100
-
-
-
24900432
AMI_1
AMI_1
Property
Value
Molecule Weight
488.37
Acceptor count
13
Donor count
0
XLOGP
0
Rotatable bond
6
Aromatic rings
0
Download 2D Structure
Download 3D Structure
8.81
-
-
-
15056663
PRMT3
PRMT3
Click to Expand
total 61 compounds
Ligand Name
IC
50
(µM)
Inhibition
Ki
Comments
PubMed ID
Pyrazole_derivative1_7b
Pyrazole_derivative1_7b
Property
Value
Molecule Weight
445.44
Acceptor count
8
Donor count
3
XLOGP
3.27
Rotatable bond
12
Aromatic rings
3
Download 2D Structure
Download 3D Structure
25
-
-
-
18619839
Diamino_aminoalkoxy_quinazolines_derivative_10
Diamino_aminoalkoxy_quinazolines_derivative_10
Property
Value
Molecule Weight
485.67
Acceptor count
4
Donor count
1
XLOGP
2.89
Rotatable bond
14
Aromatic rings
2
Download 2D Structure
Download 3D Structure
40
-
-
-
20614940
Diamino_aminoalkoxy_quinazolines_derivative_29
Diamino_aminoalkoxy_quinazolines_derivative_29
Property
Value
Molecule Weight
515.7
Acceptor count
5
Donor count
1
XLOGP
2.34
Rotatable bond
16
Aromatic rings
2
Download 2D Structure
Download 3D Structure
40
-
-
-
20614940
Diamino_aminoalkoxy_quinazolines_derivative_3a
Diamino_aminoalkoxy_quinazolines_derivative_3a
Property
Value
Molecule Weight
490.65
Acceptor count
3
Donor count
1
XLOGP
4.27
Rotatable bond
10
Aromatic rings
3
Download 2D Structure
Download 3D Structure
ND
-
-
-
20614940
NS1
NS1
Property
Value
Molecule Weight
769.77
Acceptor count
19
Donor count
7
XLOGP
8.94
Rotatable bond
17
Aromatic rings
6
Download 2D Structure
Download 3D Structure
7.1
-
-
with R4 peptide substrate
20666457
Peptide_R11
Peptide_R11
Property
Value
Molecule Weight
216.33
Acceptor count
5
Donor count
4
XLOGP
-0.15
Rotatable bond
13
Aromatic rings
0
Download 2D Structure
Download 3D Structure
4.82
-
-
-
20701328
Peptide_R12
Peptide_R12
Property
Value
Molecule Weight
234.32
Acceptor count
6
Donor count
4
XLOGP
-0.53
Rotatable bond
13
Aromatic rings
0
Download 2D Structure
Download 3D Structure
1.42
-
-
-
20701328
Peptide_R13
Peptide_R13
Property
Value
Molecule Weight
252.31
Acceptor count
7
Donor count
4
XLOGP
-0.11
Rotatable bond
13
Aromatic rings
0
Download 2D Structure
Download 3D Structure
13.9
-
-
-
20701328
Peptide_R14
Peptide_R14
Property
Value
Molecule Weight
270.3
Acceptor count
8
Donor count
4
XLOGP
0.25
Rotatable bond
13
Aromatic rings
0
Download 2D Structure
Download 3D Structure
9.43
-
-
-
20701328
UNC0638
UNC0638
Property
Value
Molecule Weight
509.74
Acceptor count
3
Donor count
1
XLOGP
6.02
Rotatable bond
13
Aromatic rings
2
Download 2D Structure
Download 3D Structure
not tested
-
-
-
21743462
Nahouic acid
Nahouic acid
Property
Value
Molecule Weight
522.72
Acceptor count
7
Donor count
6
XLOGP
3.17
Rotatable bond
24
Aromatic rings
0
Download 2D Structure
Download 3D Structure
not significant
-
-
-
23272941
Bicyclic_aromatic_derivative_2
Bicyclic_aromatic_derivative_2
Property
Value
Molecule Weight
304.42
Acceptor count
3
Donor count
2
XLOGP
3.08
Rotatable bond
6
Aromatic rings
2
Download 2D Structure
Download 3D Structure
1
-
-
-
23445220
Bicyclic_aromatic_derivative_3
Bicyclic_aromatic_derivative_3
Property
Value
Molecule Weight
303.43
Acceptor count
3
Donor count
2
XLOGP
3.4
Rotatable bond
6
Aromatic rings
2
Download 2D Structure
Download 3D Structure
100
-
-
-
23445220
Bicyclic_aromatic_derivative_4
Bicyclic_aromatic_derivative_4
Property
Value
Molecule Weight
287.36
Acceptor count
3
Donor count
3
XLOGP
2.6
Rotatable bond
6
Aromatic rings
2
Download 2D Structure
Download 3D Structure
100
-
-
-
23445220
Bicyclic_aromatic_derivative_5
Bicyclic_aromatic_derivative_5
Property
Value
Molecule Weight
286.38
Acceptor count
3
Donor count
3
XLOGP
3.62
Rotatable bond
6
Aromatic rings
2
Download 2D Structure
Download 3D Structure
100
-
-
-
23445220
Bicyclic_aromatic_derivative_6
Bicyclic_aromatic_derivative_6
Property
Value
Molecule Weight
286.38
Acceptor count
3
Donor count
3
XLOGP
3.62
Rotatable bond
6
Aromatic rings
2
Download 2D Structure
Download 3D Structure
100
-
-
-
23445220
Bicyclic_aromatic_derivative_7
Bicyclic_aromatic_derivative_7
Property
Value
Molecule Weight
303.36
Acceptor count
4
Donor count
3
XLOGP
3.14
Rotatable bond
6
Aromatic rings
1
Download 2D Structure
Download 3D Structure
100
-
-
-
23445220
Benzo_thiadiazole_derivative_10
Benzo_thiadiazole_derivative_10
Property
Value
Molecule Weight
399.47
Acceptor count
6
Donor count
3
XLOGP
2.19
Rotatable bond
8
Aromatic rings
2
Download 2D Structure
Download 3D Structure
100
-
-
-
23445220
Benzo_thiadiazole_derivative_11
Benzo_thiadiazole_derivative_11
Property
Value
Molecule Weight
407.41
Acceptor count
7
Donor count
3
XLOGP
0.91
Rotatable bond
8
Aromatic rings
3
Download 2D Structure
Download 3D Structure
100
-
-
-
23445220
Benzo_thiadiazole_derivative_12
Benzo_thiadiazole_derivative_12
Property
Value
Molecule Weight
328.44
Acceptor count
4
Donor count
2
XLOGP
3.49
Rotatable bond
7
Aromatic rings
2
Download 2D Structure
Download 3D Structure
100
-
-
-
23445220
Benzo_thiadiazole_derivative_13
Benzo_thiadiazole_derivative_13
Property
Value
Molecule Weight
328.44
Acceptor count
1
Donor count
2
XLOGP
4.68
Rotatable bond
5
Aromatic rings
3
Download 2D Structure
Download 3D Structure
100
-
-
-
23445220
Benzo_thiadiazole_derivative_1
Benzo_thiadiazole_derivative_1
Property
Value
Molecule Weight
302.4
Acceptor count
3
Donor count
2
XLOGP
1.87
Rotatable bond
6
Aromatic rings
2
Download 2D Structure
Download 3D Structure
2.4
-
-
-
23445220
Benzo_thiadiazole_derivative_14a
Benzo_thiadiazole_derivative_14a
Property
Value
Molecule Weight
306.39
Acceptor count
3
Donor count
2
XLOGP
1.63
Rotatable bond
6
Aromatic rings
2
Download 2D Structure
Download 3D Structure
3.6
-
-
-
23445220
Benzo_thiadiazole_derivative_14b
Benzo_thiadiazole_derivative_14b
Property
Value
Molecule Weight
305.4
Acceptor count
3
Donor count
2
XLOGP
1.32
Rotatable bond
6
Aromatic rings
2
Download 2D Structure
Download 3D Structure
5.2
-
-
-
23445220
Benzo_thiadiazole_derivative_14c
Benzo_thiadiazole_derivative_14c
Property
Value
Molecule Weight
307.38
Acceptor count
3
Donor count
2
XLOGP
-0.13
Rotatable bond
6
Aromatic rings
2
Download 2D Structure
Download 3D Structure
10
-
-
-
23445220
Benzo_thiadiazole_derivative_14d
Benzo_thiadiazole_derivative_14d
Property
Value
Molecule Weight
321.4
Acceptor count
3
Donor count
2
XLOGP
0.32
Rotatable bond
7
Aromatic rings
2
Download 2D Structure
Download 3D Structure
7.2
-
-
-
23445220
Benzo_thiadiazole_derivative_14e
Benzo_thiadiazole_derivative_14e
Property
Value
Molecule Weight
291.38
Acceptor count
3
Donor count
2
XLOGP
0.87
Rotatable bond
6
Aromatic rings
2
Download 2D Structure
Download 3D Structure
10
-
-
-
23445220
Benzo_thiadiazole_derivative_14f
Benzo_thiadiazole_derivative_14f
Property
Value
Molecule Weight
290.39
Acceptor count
3
Donor count
2
XLOGP
2.63
Rotatable bond
5
Aromatic rings
2
Download 2D Structure
Download 3D Structure
50
-
-
-
23445220
Benzo_thiadiazole_derivative_14g
Benzo_thiadiazole_derivative_14g
Property
Value
Molecule Weight
222.27
Acceptor count
3
Donor count
2
XLOGP
0.91
Rotatable bond
5
Aromatic rings
2
Download 2D Structure
Download 3D Structure
15
-
-
-
23445220
Benzo_thiadiazole_derivative_14h
Benzo_thiadiazole_derivative_14h
Property
Value
Molecule Weight
278.38
Acceptor count
3
Donor count
2
XLOGP
2.22
Rotatable bond
9
Aromatic rings
2
Download 2D Structure
Download 3D Structure
10
-
-
-
23445220
Benzo_thiadiazole_derivative_14i
Benzo_thiadiazole_derivative_14i
Property
Value
Molecule Weight
284.34
Acceptor count
3
Donor count
2
XLOGP
2.22
Rotatable bond
5
Aromatic rings
3
Download 2D Structure
Download 3D Structure
25
-
-
-
23445220
Benzo_thiadiazole_derivative_14j
Benzo_thiadiazole_derivative_14j
Property
Value
Molecule Weight
285.33
Acceptor count
3
Donor count
2
XLOGP
0.83
Rotatable bond
5
Aromatic rings
3
Download 2D Structure
Download 3D Structure
15
-
-
-
23445220
Benzo_thiadiazole_derivative_14k
Benzo_thiadiazole_derivative_14k
Property
Value
Molecule Weight
285.33
Acceptor count
3
Donor count
2
XLOGP
0.91
Rotatable bond
5
Aromatic rings
3
Download 2D Structure
Download 3D Structure
15
-
-
-
23445220
Benzo_thiadiazole_derivative_14l
Benzo_thiadiazole_derivative_14l
Property
Value
Molecule Weight
285.33
Acceptor count
3
Donor count
2
XLOGP
0.91
Rotatable bond
5
Aromatic rings
3
Download 2D Structure
Download 3D Structure
10
-
-
-
23445220
Benzo_thiadiazole_derivative_14m
Benzo_thiadiazole_derivative_14m
Property
Value
Molecule Weight
327.41
Acceptor count
4
Donor count
2
XLOGP
2.33
Rotatable bond
8
Aromatic rings
3
Download 2D Structure
Download 3D Structure
15
-
-
-
23445220
Benzo_thiadiazole_derivative_14n
Benzo_thiadiazole_derivative_14n
Property
Value
Molecule Weight
314.37
Acceptor count
4
Donor count
2
XLOGP
2.19
Rotatable bond
7
Aromatic rings
3
Download 2D Structure
Download 3D Structure
10
-
-
-
23445220
Benzo_thiadiazole_derivative_14o
Benzo_thiadiazole_derivative_14o
Property
Value
Molecule Weight
329.34
Acceptor count
6
Donor count
2
XLOGP
2.1
Rotatable bond
6
Aromatic rings
3
Download 2D Structure
Download 3D Structure
0.3
-
-
-
23445220
Benzo_thiadiazole_derivative_14p
Benzo_thiadiazole_derivative_14p
Property
Value
Molecule Weight
362.43
Acceptor count
6
Donor count
2
XLOGP
1.45
Rotatable bond
7
Aromatic rings
3
Download 2D Structure
Download 3D Structure
0.85
-
-
-
23445220
Benzo_thiadiazole_derivative_14q
Benzo_thiadiazole_derivative_14q
Property
Value
Molecule Weight
309.35
Acceptor count
4
Donor count
2
XLOGP
1.94
Rotatable bond
6
Aromatic rings
3
Download 2D Structure
Download 3D Structure
1.8
-
-
-
23445220
Benzo_thiadiazole_derivative_14r
Benzo_thiadiazole_derivative_14r
Property
Value
Molecule Weight
352.34
Acceptor count
6
Donor count
2
XLOGP
3.22
Rotatable bond
6
Aromatic rings
3
Download 2D Structure
Download 3D Structure
3.1
-
-
-
23445220
Benzo_thiadiazole_derivative_14s
Benzo_thiadiazole_derivative_14s
Property
Value
Molecule Weight
302.33
Acceptor count
4
Donor count
2
XLOGP
2.33
Rotatable bond
5
Aromatic rings
3
Download 2D Structure
Download 3D Structure
4
-
-
-
23445220
Benzo_thiadiazole_derivative_14t
Benzo_thiadiazole_derivative_14t
Property
Value
Molecule Weight
352.34
Acceptor count
6
Donor count
2
XLOGP
3.22
Rotatable bond
6
Aromatic rings
3
Download 2D Structure
Download 3D Structure
25
-
-
-
23445220
Benzo_thiadiazole_derivative_14u
Benzo_thiadiazole_derivative_14u
Property
Value
Molecule Weight
312.35
Acceptor count
4
Donor count
2
XLOGP
1.8
Rotatable bond
6
Aromatic rings
3
Download 2D Structure
Download 3D Structure
0.48
-
-
-
23445220
Benzo_thiadiazole_derivative_14v
Benzo_thiadiazole_derivative_14v
Property
Value
Molecule Weight
330.39
Acceptor count
4
Donor count
2
XLOGP
2.88
Rotatable bond
7
Aromatic rings
3
Download 2D Structure
Download 3D Structure
2.2
-
-
-
23445220
Benzo_thiadiazole_derivative_15a
Benzo_thiadiazole_derivative_15a
Property
Value
Molecule Weight
305.4
Acceptor count
3
Donor count
3
XLOGP
1.32
Rotatable bond
6
Aromatic rings
2
Download 2D Structure
Download 3D Structure
2.7
-
-
-
23445220
Benzo_thiadiazole_derivative_15b
Benzo_thiadiazole_derivative_15b
Property
Value
Molecule Weight
319.43
Acceptor count
4
Donor count
3
XLOGP
1.77
Rotatable bond
7
Aromatic rings
2
Download 2D Structure
Download 3D Structure
3.6
-
-
-
23445220
Benzo_thiadiazole_derivative_15c
Benzo_thiadiazole_derivative_15c
Property
Value
Molecule Weight
319.43
Acceptor count
4
Donor count
3
XLOGP
1.77
Rotatable bond
7
Aromatic rings
2
Download 2D Structure
Download 3D Structure
10
-
-
-
23445220
Benzo_thiadiazole_derivative_15d
Benzo_thiadiazole_derivative_15d
Property
Value
Molecule Weight
333.46
Acceptor count
4
Donor count
3
XLOGP
2.22
Rotatable bond
8
Aromatic rings
2
Download 2D Structure
Download 3D Structure
5.3
-
-
-
23445220
Benzo_thiadiazole_derivative_15e
Benzo_thiadiazole_derivative_15e
Property
Value
Molecule Weight
332.36
Acceptor count
5
Donor count
3
XLOGP
2.2
Rotatable bond
7
Aromatic rings
3
Download 2D Structure
Download 3D Structure
3.3
-
-
-
23445220
Benzo_thiadiazole_derivative_16
Benzo_thiadiazole_derivative_16
Property
Value
Molecule Weight
313.38
Acceptor count
4
Donor count
3
XLOGP
1.36
Rotatable bond
7
Aromatic rings
3
Download 2D Structure
Download 3D Structure
5.9
-
-
-
23445220
Benzo_thiadiazole_derivative_17
Benzo_thiadiazole_derivative_17
Property
Value
Molecule Weight
314.37
Acceptor count
4
Donor count
3
XLOGP
1.5
Rotatable bond
7
Aromatic rings
3
Download 2D Structure
Download 3D Structure
1.9
-
-
-
23445220
Benzo_thiadiazole_derivative_18
Benzo_thiadiazole_derivative_18
Property
Value
Molecule Weight
334.35
Acceptor count
5
Donor count
2
XLOGP
2.89
Rotatable bond
6
Aromatic rings
3
Download 2D Structure
Download 3D Structure
5
-
-
-
23445220
Benzo_thiadiazole_derivative_19
Benzo_thiadiazole_derivative_19
Property
Value
Molecule Weight
332.36
Acceptor count
5
Donor count
3
XLOGP
1.6
Rotatable bond
7
Aromatic rings
3
Download 2D Structure
Download 3D Structure
4.4
-
-
-
23445220
Benzo_thiadiazole_derivative_20
Benzo_thiadiazole_derivative_20
Property
Value
Molecule Weight
332.36
Acceptor count
5
Donor count
3
XLOGP
2.2
Rotatable bond
7
Aromatic rings
3
Download 2D Structure
Download 3D Structure
3.3
-
-
-
23445220
Benzo_thiadiazole_derivative_21
Benzo_thiadiazole_derivative_21
Property
Value
Molecule Weight
320.42
Acceptor count
4
Donor count
3
XLOGP
1.91
Rotatable bond
7
Aromatic rings
2
Download 2D Structure
Download 3D Structure
0.49
-
-
-
23445220
Benzo_thiadiazole_derivative_22
Benzo_thiadiazole_derivative_22
Property
Value
Molecule Weight
318.4
Acceptor count
4
Donor count
2
XLOGP
2.02
Rotatable bond
6
Aromatic rings
2
Download 2D Structure
Download 3D Structure
0.84
-
-
-
23445220
Benzo_thiadiazole_derivative_23
Benzo_thiadiazole_derivative_23
Property
Value
Molecule Weight
330.34
Acceptor count
5
Donor count
2
XLOGP
1.91
Rotatable bond
6
Aromatic rings
3
Download 2D Structure
Download 3D Structure
0.36
-
-
-
23445220
Benzo_thiadiazole_derivative_24
Benzo_thiadiazole_derivative_24
Property
Value
Molecule Weight
319.39
Acceptor count
4
Donor count
2
XLOGP
0.73
Rotatable bond
6
Aromatic rings
2
Download 2D Structure
Download 3D Structure
0.23
-
-
-
23445220
SAM_Competitive_inhibitors_3_GSK926
SAM_Competitive_inhibitors_3_GSK926
Property
Value
Molecule Weight
513.64
Acceptor count
3
Donor count
2
XLOGP
3.19
Rotatable bond
12
Aromatic rings
3
Download 2D Structure
Download 3D Structure
100
-
-
-
24900432
SAM_Competitive_inhibitors_4
SAM_Competitive_inhibitors_4
Property
Value
Molecule Weight
541.7
Acceptor count
3
Donor count
2
XLOGP
4.06
Rotatable bond
14
Aromatic rings
3
Download 2D Structure
Download 3D Structure
54
-
-
-
24900432
SAM_Competitive_inhibitors_6_GSK343
SAM_Competitive_inhibitors_6_GSK343
Property
Value
Molecule Weight
541.7
Acceptor count
3
Donor count
2
XLOGP
4.06
Rotatable bond
14
Aromatic rings
3
Download 2D Structure
Download 3D Structure
74
-
-
-
24900432
PRMT5
PRMT5
Click to Expand
total 6 compounds
Ligand Name
IC
50
(µM)
Inhibition
Ki
Comments
PubMed ID
AMI_analogue1_1a
AMI_analogue1_1a
Property
Value
Molecule Weight
424.09
Acceptor count
3
Donor count
2
XLOGP
5.43
Rotatable bond
6
Aromatic rings
2
Download 2D Structure
Download 3D Structure
162
-
-
-
18348515
Amidine_derivative_1
Amidine_derivative_1
Property
Value
Molecule Weight
304.35
Acceptor count
4
Donor count
4
XLOGP
3.05
Rotatable bond
6
Aromatic rings
3
Download 2D Structure
Download 3D Structure
166
-
-
-
24564570
Amidine_derivative_5
Amidine_derivative_5
Property
Value
Molecule Weight
305.34
Acceptor count
4
Donor count
4
XLOGP
1.65
Rotatable bond
6
Aromatic rings
3
Download 2D Structure
Download 3D Structure
186
-
-
-
24564570
SAM_Competitive_inhibitors_3_GSK926
SAM_Competitive_inhibitors_3_GSK926
Property
Value
Molecule Weight
513.64
Acceptor count
3
Donor count
2
XLOGP
3.19
Rotatable bond
12
Aromatic rings
3
Download 2D Structure
Download 3D Structure
100
-
-
-
24900432
SAM_Competitive_inhibitors_4
SAM_Competitive_inhibitors_4
Property
Value
Molecule Weight
541.7
Acceptor count
3
Donor count
2
XLOGP
4.06
Rotatable bond
14
Aromatic rings
3
Download 2D Structure
Download 3D Structure
100
-
-
-
24900432
SAM_Competitive_inhibitors_6_GSK343
SAM_Competitive_inhibitors_6_GSK343
Property
Value
Molecule Weight
541.7
Acceptor count
3
Donor count
2
XLOGP
4.06
Rotatable bond
14
Aromatic rings
3
Download 2D Structure
Download 3D Structure
100
-
-
-
24900432
PRMT6
PRMT6
Click to Expand
total 3 compounds
Ligand Name
IC
50
(µM)
Inhibition
Ki
Comments
PubMed ID
NS1
NS1
Property
Value
Molecule Weight
769.77
Acceptor count
19
Donor count
7
XLOGP
8.94
Rotatable bond
17
Aromatic rings
6
Download 2D Structure
Download 3D Structure
39.2
-
-
with H3 peptide substrate
20666457
Amidine_derivative_1
Amidine_derivative_1
Property
Value
Molecule Weight
304.35
Acceptor count
4
Donor count
4
XLOGP
3.05
Rotatable bond
6
Aromatic rings
3
Download 2D Structure
Download 3D Structure
283
-
-
-
24564570
Amidine_derivative_5
Amidine_derivative_5
Property
Value
Molecule Weight
305.34
Acceptor count
4
Donor count
4
XLOGP
1.65
Rotatable bond
6
Aromatic rings
3
Download 2D Structure
Download 3D Structure
211
-
-
-
24564570
SETD8
SETD8
Click to Expand
total 29 compounds
Ligand Name
IC
50
(µM)
Inhibition
Ki
Comments
PubMed ID
Diamino_aminoalkoxy_quinazolines_derivative_10
Diamino_aminoalkoxy_quinazolines_derivative_10
Property
Value
Molecule Weight
485.67
Acceptor count
4
Donor count
1
XLOGP
2.89
Rotatable bond
14
Aromatic rings
2
Download 2D Structure
Download 3D Structure
40
-
-
-
20614940
Diamino_aminoalkoxy_quinazolines_derivative_29
Diamino_aminoalkoxy_quinazolines_derivative_29
Property
Value
Molecule Weight
515.7
Acceptor count
5
Donor count
1
XLOGP
2.34
Rotatable bond
16
Aromatic rings
2
Download 2D Structure
Download 3D Structure
40
-
-
-
20614940
Diamino_aminoalkoxy_quinazolines_derivative_3a
Diamino_aminoalkoxy_quinazolines_derivative_3a
Property
Value
Molecule Weight
490.65
Acceptor count
3
Donor count
1
XLOGP
4.27
Rotatable bond
10
Aromatic rings
3
Download 2D Structure
Download 3D Structure
ND
-
-
-
20614940
UNC0638
UNC0638
Property
Value
Molecule Weight
509.74
Acceptor count
3
Donor count
1
XLOGP
6.02
Rotatable bond
13
Aromatic rings
2
Download 2D Structure
Download 3D Structure
not tested
-
-
-
21743462
Nahouic acid
Nahouic acid
Property
Value
Molecule Weight
522.72
Acceptor count
7
Donor count
6
XLOGP
3.17
Rotatable bond
24
Aromatic rings
0
Download 2D Structure
Download 3D Structure
not significant
-
-
-
23272941
dimethoxy_quinaoline_derv_1
dimethoxy_quinaoline_derv_1
Property
Value
Molecule Weight
412.58
Acceptor count
3
Donor count
1
XLOGP
5.09
Rotatable bond
12
Aromatic rings
2
Download 2D Structure
Download 3D Structure
7.3
-
-
-
25032507
dimethoxy_quinaoline_derv_2
dimethoxy_quinaoline_derv_2
Property
Value
Molecule Weight
370.49
Acceptor count
3
Donor count
1
XLOGP
3.74
Rotatable bond
9
Aromatic rings
2
Download 2D Structure
Download 3D Structure
67
-
-
-
25032507
dimethoxy_quinaoline_derv_3
dimethoxy_quinaoline_derv_3
Property
Value
Molecule Weight
384.52
Acceptor count
3
Donor count
1
XLOGP
4.19
Rotatable bond
10
Aromatic rings
2
Download 2D Structure
Download 3D Structure
36
-
-
-
25032507
dimethoxy_quinaoline_derv_4
dimethoxy_quinaoline_derv_4
Property
Value
Molecule Weight
398.55
Acceptor count
3
Donor count
1
XLOGP
4.52
Rotatable bond
11
Aromatic rings
2
Download 2D Structure
Download 3D Structure
43
-
-
-
25032507
dimethoxy_quinaoline_derv_5
dimethoxy_quinaoline_derv_5
Property
Value
Molecule Weight
440.63
Acceptor count
3
Donor count
1
XLOGP
5.99
Rotatable bond
13
Aromatic rings
2
Download 2D Structure
Download 3D Structure
7.9
-
-
-
25032507
dimethoxy_quinaoline_derv_6
dimethoxy_quinaoline_derv_6
Property
Value
Molecule Weight
386.54
Acceptor count
4
Donor count
1
XLOGP
4.6
Rotatable bond
14
Aromatic rings
2
Download 2D Structure
Download 3D Structure
7.9
-
-
-
25032507
dimethoxy_quinaoline_derv_7
dimethoxy_quinaoline_derv_7
Property
Value
Molecule Weight
414.59
Acceptor count
4
Donor count
1
XLOGP
5.43
Rotatable bond
16
Aromatic rings
2
Download 2D Structure
Download 3D Structure
21
-
-
-
25032507
dimethoxy_quinaoline_derv_8
dimethoxy_quinaoline_derv_8
Property
Value
Molecule Weight
527.71
Acceptor count
5
Donor count
1
XLOGP
5.08
Rotatable bond
18
Aromatic rings
2
Download 2D Structure
Download 3D Structure
35
-
-
-
25032507
dimethoxy_quinaoline_derv_9
dimethoxy_quinaoline_derv_9
Property
Value
Molecule Weight
427.59
Acceptor count
3
Donor count
2
XLOGP
3.77
Rotatable bond
12
Aromatic rings
2
Download 2D Structure
Download 3D Structure
32
-
-
-
25032507
dimethoxy_quinaoline_derv_10
dimethoxy_quinaoline_derv_10
Property
Value
Molecule Weight
441.62
Acceptor count
3
Donor count
1
XLOGP
4.08
Rotatable bond
13
Aromatic rings
2
Download 2D Structure
Download 3D Structure
29
-
-
-
25032507
dimethoxy_quinaoline_derv_11
dimethoxy_quinaoline_derv_11
Property
Value
Molecule Weight
455.64
Acceptor count
3
Donor count
1
XLOGP
4.49
Rotatable bond
14
Aromatic rings
2
Download 2D Structure
Download 3D Structure
25
-
-
-
25032507
dimethoxy_quinaoline_derv_12
dimethoxy_quinaoline_derv_12
Property
Value
Molecule Weight
469.67
Acceptor count
3
Donor count
1
XLOGP
5
Rotatable bond
15
Aromatic rings
2
Download 2D Structure
Download 3D Structure
34
-
-
-
25032507
dimethoxy_quinaoline_derv_13
dimethoxy_quinaoline_derv_13
Property
Value
Molecule Weight
426.56
Acceptor count
4
Donor count
1
XLOGP
4.14
Rotatable bond
12
Aromatic rings
2
Download 2D Structure
Download 3D Structure
58
-
-
-
25032507
dimethoxy_quinaoline_derv_14
dimethoxy_quinaoline_derv_14
Property
Value
Molecule Weight
412.58
Acceptor count
3
Donor count
1
XLOGP
5.09
Rotatable bond
12
Aromatic rings
2
Download 2D Structure
Download 3D Structure
250
-
-
-
25032507
dimethoxy_quinaoline_derv_16
dimethoxy_quinaoline_derv_16
Property
Value
Molecule Weight
427.59
Acceptor count
3
Donor count
1
XLOGP
4.81
Rotatable bond
12
Aromatic rings
2
Download 2D Structure
Download 3D Structure
94
-
-
-
25032507
dimethoxy_quinaoline_derv_17
dimethoxy_quinaoline_derv_17
Property
Value
Molecule Weight
455.64
Acceptor count
3
Donor count
1
XLOGP
5.71
Rotatable bond
12
Aromatic rings
2
Download 2D Structure
Download 3D Structure
250
-
-
-
25032507
dimethoxy_quinaoline_derv_18
dimethoxy_quinaoline_derv_18
Property
Value
Molecule Weight
387.53
Acceptor count
4
Donor count
1
XLOGP
3.88
Rotatable bond
14
Aromatic rings
2
Download 2D Structure
Download 3D Structure
9.2
-
-
-
25032507
dimethoxy_quinaoline_derv_19
dimethoxy_quinaoline_derv_19
Property
Value
Molecule Weight
428.58
Acceptor count
3
Donor count
2
XLOGP
3.04
Rotatable bond
12
Aromatic rings
2
Download 2D Structure
Download 3D Structure
250
-
-
-
25032507
dimethoxy_quinaoline_derv_20
dimethoxy_quinaoline_derv_20
Property
Value
Molecule Weight
442.6
Acceptor count
3
Donor count
1
XLOGP
3.36
Rotatable bond
13
Aromatic rings
2
Download 2D Structure
Download 3D Structure
250
-
-
-
25032507
dimethoxy_quinaoline_derv_21
dimethoxy_quinaoline_derv_21
Property
Value
Molecule Weight
441.62
Acceptor count
4
Donor count
1
XLOGP
5.35
Rotatable bond
14
Aromatic rings
2
Download 2D Structure
Download 3D Structure
37
-
-
-
25032507
dimethoxy_quinaoline_derv_22
dimethoxy_quinaoline_derv_22
Property
Value
Molecule Weight
455.64
Acceptor count
4
Donor count
1
XLOGP
5.8
Rotatable bond
14
Aromatic rings
2
Download 2D Structure
Download 3D Structure
37
-
-
-
25032507
dimethoxy_quinaoline_derv_23
dimethoxy_quinaoline_derv_23
Property
Value
Molecule Weight
427.59
Acceptor count
4
Donor count
2
XLOGP
4.97
Rotatable bond
13
Aromatic rings
2
Download 2D Structure
Download 3D Structure
250
-
-
-
25032507
dimethoxy_quinaoline_derv_24
dimethoxy_quinaoline_derv_24
Property
Value
Molecule Weight
441.62
Acceptor count
4
Donor count
2
XLOGP
5.42
Rotatable bond
13
Aromatic rings
2
Download 2D Structure
Download 3D Structure
250
-
-
-
25032507
dimethoxy_quinaoline_derv_15
dimethoxy_quinaoline_derv_15
Property
Value
Molecule Weight
378.9
Acceptor count
3
Donor count
1
XLOGP
4.39
Rotatable bond
11
Aromatic rings
2
Download 2D Structure
Download 3D Structure
250
-
-
-
25032507
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