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Epi
DBase
Small molecule modulators of Epigenetic proteins
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Protein Name
Protein Structure
Compounds
KDM5A
KDM5A
Click to Expand
total 68 compounds
Ligand Name
IC
50
(µM)
Inhibition
Ki
Comments
PubMed ID
Pyrrolidinyl_piperidine_amine_derv_1
Pyrrolidinyl_piperidine_amine_derv_1
Property
Value
Molecule Weight
529.73
Acceptor count
3
Donor count
1
XLOGP
4.18
Rotatable bond
8
Aromatic rings
2
Download 2D Structure
Download 3D Structure
10
-
-
-
24040942
Pyrrolidinyl_piperidine_amine_derv_2
Pyrrolidinyl_piperidine_amine_derv_2
Property
Value
Molecule Weight
446.59
Acceptor count
3
Donor count
2
XLOGP
3.78
Rotatable bond
8
Aromatic rings
2
Download 2D Structure
Download 3D Structure
10
-
-
-
24040942
Pyrrolidinyl_piperidine_amine_derv_3
Pyrrolidinyl_piperidine_amine_derv_3
Property
Value
Molecule Weight
338.25
Acceptor count
1
Donor count
0
XLOGP
1.88
Rotatable bond
3
Aromatic rings
1
Download 2D Structure
Download 3D Structure
10
-
-
-
24040942
Pyrrolidinyl_piperidine_amine_derv_4
Pyrrolidinyl_piperidine_amine_derv_4
Property
Value
Molecule Weight
438.61
Acceptor count
2
Donor count
0
XLOGP
2.83
Rotatable bond
6
Aromatic rings
1
Download 2D Structure
Download 3D Structure
10
-
-
-
24040942
Pyrrolidinyl_piperidine_amine_derv_5
Pyrrolidinyl_piperidine_amine_derv_5
Property
Value
Molecule Weight
438.61
Acceptor count
2
Donor count
0
XLOGP
2.83
Rotatable bond
6
Aromatic rings
1
Download 2D Structure
Download 3D Structure
10
-
-
-
24040942
Pyrrolidinyl_piperidine_amine_derv_6
Pyrrolidinyl_piperidine_amine_derv_6
Property
Value
Molecule Weight
438.61
Acceptor count
2
Donor count
0
XLOGP
2.83
Rotatable bond
6
Aromatic rings
1
Download 2D Structure
Download 3D Structure
10
-
-
-
24040942
Pyrrolidinyl_piperidine_amine_derv_7
Pyrrolidinyl_piperidine_amine_derv_7
Property
Value
Molecule Weight
618.86
Acceptor count
3
Donor count
0
XLOGP
3.27
Rotatable bond
9
Aromatic rings
1
Download 2D Structure
Download 3D Structure
10
-
-
-
24040942
Pyrrolidinyl_piperidine_amine_derv_8
Pyrrolidinyl_piperidine_amine_derv_8
Property
Value
Molecule Weight
474.67
Acceptor count
4
Donor count
0
XLOGP
1.37
Rotatable bond
6
Aromatic rings
1
Download 2D Structure
Download 3D Structure
10
-
-
-
24040942
Pyrrolidinyl_piperidine_amine_derv_9
Pyrrolidinyl_piperidine_amine_derv_9
Property
Value
Molecule Weight
410.6
Acceptor count
1
Donor count
0
XLOGP
3.46
Rotatable bond
5
Aromatic rings
1
Download 2D Structure
Download 3D Structure
10
-
-
-
24040942
Pyrrolidinyl_piperidine_amine_derv_10
Pyrrolidinyl_piperidine_amine_derv_10
Property
Value
Molecule Weight
424.63
Acceptor count
1
Donor count
0
XLOGP
3.43
Rotatable bond
6
Aromatic rings
1
Download 2D Structure
Download 3D Structure
10
-
-
-
24040942
Pyrrolidinyl_piperidine_amine_derv_11
Pyrrolidinyl_piperidine_amine_derv_11
Property
Value
Molecule Weight
452.64
Acceptor count
2
Donor count
0
XLOGP
3.28
Rotatable bond
6
Aromatic rings
1
Download 2D Structure
Download 3D Structure
10
-
-
-
24040942
Pyrrolidinyl_piperidine_amine_derv_12
Pyrrolidinyl_piperidine_amine_derv_12
Property
Value
Molecule Weight
466.67
Acceptor count
2
Donor count
0
XLOGP
3.73
Rotatable bond
6
Aromatic rings
1
Download 2D Structure
Download 3D Structure
10
-
-
-
24040942
Pyrrolidinyl_piperidine_amine_derv_13
Pyrrolidinyl_piperidine_amine_derv_13
Property
Value
Molecule Weight
454.61
Acceptor count
2
Donor count
0
XLOGP
1.83
Rotatable bond
6
Aromatic rings
1
Download 2D Structure
Download 3D Structure
10
-
-
-
24040942
Pyrrolidinyl_piperidine_amine_derv_14
Pyrrolidinyl_piperidine_amine_derv_14
Property
Value
Molecule Weight
451.65
Acceptor count
2
Donor count
0
XLOGP
4.81
Rotatable bond
6
Aromatic rings
1
Download 2D Structure
Download 3D Structure
10
-
-
-
24040942
Pyrrolidinyl_piperidine_amine_derv_15
Pyrrolidinyl_piperidine_amine_derv_15
Property
Value
Molecule Weight
412.58
Acceptor count
3
Donor count
0
XLOGP
2.35
Rotatable bond
8
Aromatic rings
1
Download 2D Structure
Download 3D Structure
10
-
-
-
24040942
Pyrrolidinyl_piperidine_amine_derv_16
Pyrrolidinyl_piperidine_amine_derv_16
Property
Value
Molecule Weight
453.65
Acceptor count
2
Donor count
0
XLOGP
0
Rotatable bond
7
Aromatic rings
1
Download 2D Structure
Download 3D Structure
10
-
-
-
24040942
Pyrrolidinyl_piperidine_amine_derv_17
Pyrrolidinyl_piperidine_amine_derv_17
Property
Value
Molecule Weight
438.61
Acceptor count
2
Donor count
1
XLOGP
3.11
Rotatable bond
6
Aromatic rings
1
Download 2D Structure
Download 3D Structure
10
-
-
-
24040942
Pyrrolidinyl_piperidine_amine_derv_18
Pyrrolidinyl_piperidine_amine_derv_18
Property
Value
Molecule Weight
452.64
Acceptor count
2
Donor count
1
XLOGP
3.04
Rotatable bond
6
Aromatic rings
1
Download 2D Structure
Download 3D Structure
10
-
-
-
24040942
Pyrrolidinyl_piperidine_amine_derv_19
Pyrrolidinyl_piperidine_amine_derv_19
Property
Value
Molecule Weight
438.61
Acceptor count
2
Donor count
0
XLOGP
2.83
Rotatable bond
6
Aromatic rings
1
Download 2D Structure
Download 3D Structure
10
-
-
-
24040942
Pyrrolidinyl_piperidine_amine_derv_20
Pyrrolidinyl_piperidine_amine_derv_20
Property
Value
Molecule Weight
467.66
Acceptor count
2
Donor count
0
XLOGP
1.83
Rotatable bond
7
Aromatic rings
1
Download 2D Structure
Download 3D Structure
10
-
-
-
24040942
Pyrrolidinyl_piperidine_amine_derv_21
Pyrrolidinyl_piperidine_amine_derv_21
Property
Value
Molecule Weight
496.7
Acceptor count
2
Donor count
0
XLOGP
1.45
Rotatable bond
9
Aromatic rings
1
Download 2D Structure
Download 3D Structure
10
-
-
-
24040942
Pyrrolidinyl_piperidine_amine_derv_22
Pyrrolidinyl_piperidine_amine_derv_22
Property
Value
Molecule Weight
464.65
Acceptor count
2
Donor count
0
XLOGP
3.03
Rotatable bond
6
Aromatic rings
1
Download 2D Structure
Download 3D Structure
10
-
-
-
24040942
Pyrrolidinyl_piperidine_amine_derv_23
Pyrrolidinyl_piperidine_amine_derv_23
Property
Value
Molecule Weight
452.64
Acceptor count
2
Donor count
0
XLOGP
3.28
Rotatable bond
6
Aromatic rings
1
Download 2D Structure
Download 3D Structure
10
-
-
-
24040942
Pyrrolidinyl_piperidine_amine_derv_24
Pyrrolidinyl_piperidine_amine_derv_24
Property
Value
Molecule Weight
408.54
Acceptor count
2
Donor count
0
XLOGP
2.47
Rotatable bond
6
Aromatic rings
1
Download 2D Structure
Download 3D Structure
10
-
-
-
24040942
Pyrrolidinyl_piperidine_amine_derv_25
Pyrrolidinyl_piperidine_amine_derv_25
Property
Value
Molecule Weight
424.59
Acceptor count
2
Donor count
0
XLOGP
2.38
Rotatable bond
6
Aromatic rings
1
Download 2D Structure
Download 3D Structure
10
-
-
-
24040942
Pyrrolidinyl_piperidine_amine_derv_26
Pyrrolidinyl_piperidine_amine_derv_26
Property
Value
Molecule Weight
412.58
Acceptor count
3
Donor count
1
XLOGP
2.57
Rotatable bond
9
Aromatic rings
1
Download 2D Structure
Download 3D Structure
10
-
-
-
24040942
Pyrrolidinyl_piperidine_amine_derv_27
Pyrrolidinyl_piperidine_amine_derv_27
Property
Value
Molecule Weight
396.53
Acceptor count
2
Donor count
1
XLOGP
1.41
Rotatable bond
5
Aromatic rings
1
Download 2D Structure
Download 3D Structure
10
-
-
-
24040942
Pyrrolidinyl_piperidine_amine_derv_28
Pyrrolidinyl_piperidine_amine_derv_28
Property
Value
Molecule Weight
410.56
Acceptor count
2
Donor count
1
XLOGP
1.86
Rotatable bond
5
Aromatic rings
1
Download 2D Structure
Download 3D Structure
10
-
-
-
24040942
Pyrrolidinyl_piperidine_amine_derv_29
Pyrrolidinyl_piperidine_amine_derv_29
Property
Value
Molecule Weight
424.59
Acceptor count
2
Donor count
1
XLOGP
2.31
Rotatable bond
5
Aromatic rings
1
Download 2D Structure
Download 3D Structure
10
-
-
-
24040942
Pyrrolidinyl_piperidine_amine_derv_30
Pyrrolidinyl_piperidine_amine_derv_30
Property
Value
Molecule Weight
396.53
Acceptor count
2
Donor count
1
XLOGP
1.24
Rotatable bond
5
Aromatic rings
1
Download 2D Structure
Download 3D Structure
10
-
-
-
24040942
Pyrrolidinyl_piperidine_amine_derv_31
Pyrrolidinyl_piperidine_amine_derv_31
Property
Value
Molecule Weight
439.6
Acceptor count
3
Donor count
1
XLOGP
1.21
Rotatable bond
7
Aromatic rings
1
Download 2D Structure
Download 3D Structure
10
-
-
-
24040942
Pyrrolidinyl_piperidine_amine_derv_32
Pyrrolidinyl_piperidine_amine_derv_32
Property
Value
Molecule Weight
466.67
Acceptor count
2
Donor count
0
XLOGP
3.73
Rotatable bond
6
Aromatic rings
1
Download 2D Structure
Download 3D Structure
10
-
-
-
24040942
Pyrrolidinyl_piperidine_amine_derv_33
Pyrrolidinyl_piperidine_amine_derv_33
Property
Value
Molecule Weight
490.69
Acceptor count
2
Donor count
0
XLOGP
3.22
Rotatable bond
6
Aromatic rings
1
Download 2D Structure
Download 3D Structure
10
-
-
-
24040942
Pyrrolidinyl_piperidine_amine_derv_34
Pyrrolidinyl_piperidine_amine_derv_34
Property
Value
Molecule Weight
402.5
Acceptor count
2
Donor count
0
XLOGP
2.54
Rotatable bond
6
Aromatic rings
1
Download 2D Structure
Download 3D Structure
10
-
-
-
24040942
Pyrrolidinyl_piperidine_amine_derv_35
Pyrrolidinyl_piperidine_amine_derv_35
Property
Value
Molecule Weight
438.61
Acceptor count
2
Donor count
2
XLOGP
3.39
Rotatable bond
6
Aromatic rings
1
Download 2D Structure
Download 3D Structure
10
-
-
-
24040942
Pyrrolidinyl_piperidine_amine_derv_36
Pyrrolidinyl_piperidine_amine_derv_36
Property
Value
Molecule Weight
466.67
Acceptor count
2
Donor count
0
XLOGP
3.21
Rotatable bond
8
Aromatic rings
1
Download 2D Structure
Download 3D Structure
10
-
-
-
24040942
Pyrrolidinyl_piperidine_amine_derv_37
Pyrrolidinyl_piperidine_amine_derv_37
Property
Value
Molecule Weight
466.67
Acceptor count
2
Donor count
0
XLOGP
3.73
Rotatable bond
6
Aromatic rings
1
Download 2D Structure
Download 3D Structure
10
-
-
-
24040942
Pyrrolidinyl_piperidine_amine_derv_38
Pyrrolidinyl_piperidine_amine_derv_38
Property
Value
Molecule Weight
386.54
Acceptor count
4
Donor count
0
XLOGP
1.87
Rotatable bond
10
Aromatic rings
1
Download 2D Structure
Download 3D Structure
10
-
-
-
24040942
Pyrrolidinyl_piperidine_amine_derv_39
Pyrrolidinyl_piperidine_amine_derv_39
Property
Value
Molecule Weight
439.6
Acceptor count
2
Donor count
0
XLOGP
1.44
Rotatable bond
6
Aromatic rings
1
Download 2D Structure
Download 3D Structure
10
-
-
-
24040942
Pyrrolidinyl_piperidine_amine_derv_40
Pyrrolidinyl_piperidine_amine_derv_40
Property
Value
Molecule Weight
517.51
Acceptor count
2
Donor count
0
XLOGP
3.63
Rotatable bond
6
Aromatic rings
1
Download 2D Structure
Download 3D Structure
10
-
-
-
24040942
Pyrrolidinyl_piperidine_amine_derv_41
Pyrrolidinyl_piperidine_amine_derv_41
Property
Value
Molecule Weight
483.61
Acceptor count
5
Donor count
0
XLOGP
2.7
Rotatable bond
7
Aromatic rings
1
Download 2D Structure
Download 3D Structure
10
-
-
-
24040942
Pyrrolidinyl_piperidine_amine_derv_42
Pyrrolidinyl_piperidine_amine_derv_42
Property
Value
Molecule Weight
453.63
Acceptor count
3
Donor count
1
XLOGP
2.08
Rotatable bond
7
Aromatic rings
1
Download 2D Structure
Download 3D Structure
10
-
-
-
24040942
Pyrrolidinyl_piperidine_amine_derv_43
Pyrrolidinyl_piperidine_amine_derv_43
Property
Value
Molecule Weight
510.58
Acceptor count
6
Donor count
0
XLOGP
3.24
Rotatable bond
6
Aromatic rings
1
Download 2D Structure
Download 3D Structure
10
-
-
-
24040942
Pyrrolidinyl_piperidine_amine_derv_44
Pyrrolidinyl_piperidine_amine_derv_44
Property
Value
Molecule Weight
466.67
Acceptor count
2
Donor count
0
XLOGP
3.39
Rotatable bond
8
Aromatic rings
1
Download 2D Structure
Download 3D Structure
10
-
-
-
24040942
Pyrrolidinyl_piperidine_amine_derv_45
Pyrrolidinyl_piperidine_amine_derv_45
Property
Value
Molecule Weight
488.67
Acceptor count
2
Donor count
0
XLOGP
4.12
Rotatable bond
6
Aromatic rings
2
Download 2D Structure
Download 3D Structure
10
-
-
-
24040942
Pyrrolidinyl_piperidine_amine_derv_46
Pyrrolidinyl_piperidine_amine_derv_46
Property
Value
Molecule Weight
488.67
Acceptor count
2
Donor count
0
XLOGP
4.12
Rotatable bond
6
Aromatic rings
2
Download 2D Structure
Download 3D Structure
10
-
-
-
24040942
Pyrrolidinyl_piperidine_amine_derv_47
Pyrrolidinyl_piperidine_amine_derv_47
Property
Value
Molecule Weight
428.58
Acceptor count
2
Donor count
0
XLOGP
1.6
Rotatable bond
6
Aromatic rings
1
Download 2D Structure
Download 3D Structure
10
-
-
-
24040942
Pyrrolidinyl_piperidine_amine_derv_48
Pyrrolidinyl_piperidine_amine_derv_48
Property
Value
Molecule Weight
444.64
Acceptor count
2
Donor count
0
XLOGP
2.23
Rotatable bond
6
Aromatic rings
1
Download 2D Structure
Download 3D Structure
10
-
-
-
24040942
Pyrrolidinyl_piperidine_amine_derv_49
Pyrrolidinyl_piperidine_amine_derv_49
Property
Value
Molecule Weight
543.75
Acceptor count
3
Donor count
1
XLOGP
4.29
Rotatable bond
9
Aromatic rings
2
Download 2D Structure
Download 3D Structure
10
-
-
-
24040942
Pyrrolidinyl_piperidine_amine_derv_50
Pyrrolidinyl_piperidine_amine_derv_50
Property
Value
Molecule Weight
528.74
Acceptor count
2
Donor count
0
XLOGP
4.85
Rotatable bond
8
Aromatic rings
2
Download 2D Structure
Download 3D Structure
10
-
-
-
24040942
Pyrrolidinyl_piperidine_amine_derv_51
Pyrrolidinyl_piperidine_amine_derv_51
Property
Value
Molecule Weight
530.71
Acceptor count
3
Donor count
0
XLOGP
4.41
Rotatable bond
8
Aromatic rings
2
Download 2D Structure
Download 3D Structure
10
-
-
-
24040942
Pyrrolidinyl_piperidine_amine_derv_52
Pyrrolidinyl_piperidine_amine_derv_52
Property
Value
Molecule Weight
514.71
Acceptor count
2
Donor count
0
XLOGP
4.74
Rotatable bond
7
Aromatic rings
2
Download 2D Structure
Download 3D Structure
10
-
-
-
24040942
Pyrrolidinyl_piperidine_amine_derv_53
Pyrrolidinyl_piperidine_amine_derv_53
Property
Value
Molecule Weight
446.59
Acceptor count
3
Donor count
1
XLOGP
3.5
Rotatable bond
8
Aromatic rings
2
Download 2D Structure
Download 3D Structure
10
-
-
-
24040942
Pyrrolidinyl_piperidine_amine_derv_54
Pyrrolidinyl_piperidine_amine_derv_54
Property
Value
Molecule Weight
472.63
Acceptor count
3
Donor count
1
XLOGP
3.69
Rotatable bond
8
Aromatic rings
2
Download 2D Structure
Download 3D Structure
10
-
-
-
24040942
Pyrrolidinyl_piperidine_amine_derv_55
Pyrrolidinyl_piperidine_amine_derv_55
Property
Value
Molecule Weight
537.71
Acceptor count
4
Donor count
3
XLOGP
5.12
Rotatable bond
10
Aromatic rings
3
Download 2D Structure
Download 3D Structure
10
-
-
-
24040942
Pyrrolidinyl_piperidine_amine_derv_56
Pyrrolidinyl_piperidine_amine_derv_56
Property
Value
Molecule Weight
537.71
Acceptor count
4
Donor count
3
XLOGP
5.12
Rotatable bond
10
Aromatic rings
3
Download 2D Structure
Download 3D Structure
10
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-
24040942
hydroxamate_derived_11
hydroxamate_derived_11
Property
Value
Molecule Weight
160.17
Acceptor count
5
Donor count
2
XLOGP
-0.99
Rotatable bond
8
Aromatic rings
0
Download 2D Structure
Download 3D Structure
220
-
-
-
23964788
hydroxamate_derived_12
hydroxamate_derived_12
Property
Value
Molecule Weight
287.4
Acceptor count
5
Donor count
2
XLOGP
3.65
Rotatable bond
17
Aromatic rings
0
Download 2D Structure
Download 3D Structure
110
-
-
-
23964788
hydroxamate_derived_1
hydroxamate_derived_1
Property
Value
Molecule Weight
287.4
Acceptor count
5
Donor count
1
XLOGP
3.53
Rotatable bond
17
Aromatic rings
0
Download 2D Structure
Download 3D Structure
210
-
-
-
23964788
hydroxamate_derived_2
hydroxamate_derived_2
Property
Value
Molecule Weight
259.35
Acceptor count
5
Donor count
2
XLOGP
2.93
Rotatable bond
15
Aromatic rings
0
Download 2D Structure
Download 3D Structure
64
-
-
-
23964788
hydroxamate_derived_3
hydroxamate_derived_3
Property
Value
Molecule Weight
285.38
Acceptor count
5
Donor count
2
XLOGP
3.3
Rotatable bond
15
Aromatic rings
0
Download 2D Structure
Download 3D Structure
55
-
-
-
23964788
hydroxamate_derived_4
hydroxamate_derived_4
Property
Value
Molecule Weight
313.44
Acceptor count
5
Donor count
2
XLOGP
4.2
Rotatable bond
15
Aromatic rings
0
Download 2D Structure
Download 3D Structure
35
-
-
-
23964788
hydroxamate_derived_5
hydroxamate_derived_5
Property
Value
Molecule Weight
327.46
Acceptor count
5
Donor count
2
XLOGP
4.65
Rotatable bond
15
Aromatic rings
0
Download 2D Structure
Download 3D Structure
100
-
-
-
23964788
hydroxamate_derived_6
hydroxamate_derived_6
Property
Value
Molecule Weight
341.49
Acceptor count
5
Donor count
2
XLOGP
5.1
Rotatable bond
15
Aromatic rings
0
Download 2D Structure
Download 3D Structure
55
-
-
-
23964788
hydroxamate_derived_7
hydroxamate_derived_7
Property
Value
Molecule Weight
321.42
Acceptor count
5
Donor count
2
XLOGP
3.89
Rotatable bond
15
Aromatic rings
1
Download 2D Structure
Download 3D Structure
93
-
-
-
23964788
hydroxamate_derived_8
hydroxamate_derived_8
Property
Value
Molecule Weight
147.09
Acceptor count
6
Donor count
3
XLOGP
-1.64
Rotatable bond
6
Aromatic rings
0
Download 2D Structure
Download 3D Structure
640
-
-
-
23964788
hydroxamate_derived_9
hydroxamate_derived_9
Property
Value
Molecule Weight
167.12
Acceptor count
4
Donor count
2
XLOGP
-0.29
Rotatable bond
4
Aromatic rings
1
Download 2D Structure
Download 3D Structure
100
-
-
-
23964788
hydroxamate_derived_10
hydroxamate_derived_10
Property
Value
Molecule Weight
272.39
Acceptor count
5
Donor count
2
XLOGP
1.77
Rotatable bond
16
Aromatic rings
0
Download 2D Structure
Download 3D Structure
13
-
-
-
23964788
KDM6A
KDM6A
Click to Expand
total 9 compounds
Ligand Name
IC
50
(µM)
Inhibition
Ki
Comments
PubMed ID
hydroxamate_derived_11
hydroxamate_derived_11
Property
Value
Molecule Weight
160.17
Acceptor count
5
Donor count
2
XLOGP
-0.99
Rotatable bond
8
Aromatic rings
0
Download 2D Structure
Download 3D Structure
100
-
-
-
23964788
hydroxamate_derived_12
hydroxamate_derived_12
Property
Value
Molecule Weight
287.4
Acceptor count
5
Donor count
2
XLOGP
3.65
Rotatable bond
17
Aromatic rings
0
Download 2D Structure
Download 3D Structure
100
-
-
-
23964788
hydroxamate_derived_1
hydroxamate_derived_1
Property
Value
Molecule Weight
287.4
Acceptor count
5
Donor count
1
XLOGP
3.53
Rotatable bond
17
Aromatic rings
0
Download 2D Structure
Download 3D Structure
100
-
-
-
23964788
hydroxamate_derived_2
hydroxamate_derived_2
Property
Value
Molecule Weight
259.35
Acceptor count
5
Donor count
2
XLOGP
2.93
Rotatable bond
15
Aromatic rings
0
Download 2D Structure
Download 3D Structure
100
-
-
-
23964788
hydroxamate_derived_3
hydroxamate_derived_3
Property
Value
Molecule Weight
285.38
Acceptor count
5
Donor count
2
XLOGP
3.3
Rotatable bond
15
Aromatic rings
0
Download 2D Structure
Download 3D Structure
100
-
-
-
23964788
hydroxamate_derived_4
hydroxamate_derived_4
Property
Value
Molecule Weight
313.44
Acceptor count
5
Donor count
2
XLOGP
4.2
Rotatable bond
15
Aromatic rings
0
Download 2D Structure
Download 3D Structure
100
-
-
-
23964788
hydroxamate_derived_5
hydroxamate_derived_5
Property
Value
Molecule Weight
327.46
Acceptor count
5
Donor count
2
XLOGP
4.65
Rotatable bond
15
Aromatic rings
0
Download 2D Structure
Download 3D Structure
100
-
-
-
23964788
hydroxamate_derived_6
hydroxamate_derived_6
Property
Value
Molecule Weight
341.49
Acceptor count
5
Donor count
2
XLOGP
5.1
Rotatable bond
15
Aromatic rings
0
Download 2D Structure
Download 3D Structure
100
-
-
-
23964788
hydroxamate_derived_7
hydroxamate_derived_7
Property
Value
Molecule Weight
321.42
Acceptor count
5
Donor count
2
XLOGP
3.89
Rotatable bond
15
Aromatic rings
1
Download 2D Structure
Download 3D Structure
100
-
-
-
23964788
KDM6B
KDM6B
Click to Expand
total 24 compounds
Ligand Name
IC
50
(µM)
Inhibition
Ki
Comments
PubMed ID
2_oxoglutarate_analogue_3
2_oxoglutarate_analogue_3
Property
Value
Molecule Weight
280.67
Acceptor count
5
Donor count
3
XLOGP
1.84
Rotatable bond
6
Aromatic rings
2
Download 2D Structure
Download 3D Structure
20
-
-
-
23683440
2_oxoglutarate_analogue_4
2_oxoglutarate_analogue_4
Property
Value
Molecule Weight
276.25
Acceptor count
6
Donor count
3
XLOGP
0.47
Rotatable bond
7
Aromatic rings
1
Download 2D Structure
Download 3D Structure
100
-
-
-
23683440
2_oxoglutarate_analogue_6
2_oxoglutarate_analogue_6
Property
Value
Molecule Weight
352.35
Acceptor count
6
Donor count
3
XLOGP
2.19
Rotatable bond
8
Aromatic rings
2
Download 2D Structure
Download 3D Structure
100
-
-
-
23683440
2_oxoglutarate_analogue_7
2_oxoglutarate_analogue_7
Property
Value
Molecule Weight
302.29
Acceptor count
6
Donor count
3
XLOGP
1.03
Rotatable bond
8
Aromatic rings
1
Download 2D Structure
Download 3D Structure
100
-
-
-
23683440
2_oxoglutarate_analogue_8
2_oxoglutarate_analogue_8
Property
Value
Molecule Weight
360.41
Acceptor count
6
Donor count
3
XLOGP
3.13
Rotatable bond
13
Aromatic rings
1
Download 2D Structure
Download 3D Structure
100
-
-
-
23683440
2_oxoglutarate_analogue_9
2_oxoglutarate_analogue_9
Property
Value
Molecule Weight
431.24
Acceptor count
6
Donor count
3
XLOGP
2.99
Rotatable bond
8
Aromatic rings
2
Download 2D Structure
Download 3D Structure
100
-
-
-
23683440
Tranylcypromine_derivative_1
Tranylcypromine_derivative_1
Property
Value
Molecule Weight
374.4
Acceptor count
5
Donor count
3
XLOGP
0.81
Rotatable bond
8
Aromatic rings
3
Download 2D Structure
Download 3D Structure
2.7
-
-
Binds to JMJD3 domain of KDM6
24325601
Tranylcypromine_derivative_2
Tranylcypromine_derivative_2
Property
Value
Molecule Weight
388.43
Acceptor count
5
Donor count
2
XLOGP
1.14
Rotatable bond
9
Aromatic rings
3
Download 2D Structure
Download 3D Structure
76
-
-
Binds to JMJD3 domain of KDM6
24325601
Tranylcypromine_derivative_3
Tranylcypromine_derivative_3
Property
Value
Molecule Weight
319.36
Acceptor count
4
Donor count
3
XLOGP
2.14
Rotatable bond
6
Aromatic rings
3
Download 2D Structure
Download 3D Structure
27
-
-
Binds to JMJD3 domain of KDM6
24325601
Tranylcypromine_derivative_4
Tranylcypromine_derivative_4
Property
Value
Molecule Weight
404.47
Acceptor count
6
Donor count
4
XLOGP
1.85
Rotatable bond
11
Aromatic rings
3
Download 2D Structure
Download 3D Structure
18
-
-
Binds to JMJD3 domain of KDM6
24325601
Tranylcypromine_derivative_5
Tranylcypromine_derivative_5
Property
Value
Molecule Weight
418.5
Acceptor count
6
Donor count
4
XLOGP
2.3
Rotatable bond
12
Aromatic rings
3
Download 2D Structure
Download 3D Structure
14
-
-
Binds to JMJD3 domain of KDM6
24325601
Tranylcypromine_derivative_6
Tranylcypromine_derivative_6
Property
Value
Molecule Weight
432.52
Acceptor count
6
Donor count
4
XLOGP
2.75
Rotatable bond
13
Aromatic rings
3
Download 2D Structure
Download 3D Structure
16
-
-
Binds to JMJD3 domain of KDM6
24325601
Tranylcypromine_derivative_7
Tranylcypromine_derivative_7
Property
Value
Molecule Weight
133.19
Acceptor count
1
Donor count
1
XLOGP
1.43
Rotatable bond
2
Aromatic rings
1
Download 2D Structure
Download 3D Structure
100
-
-
Binds to JMJD3 domain of KDM6
24325601
Tranylcypromine_derivative_8
Tranylcypromine_derivative_8
Property
Value
Molecule Weight
258.23
Acceptor count
4
Donor count
1
XLOGP
0.28
Rotatable bond
6
Aromatic rings
2
Download 2D Structure
Download 3D Structure
11.2
-
-
Binds to JMJD3 domain of KDM6
24325601
Tranylcypromine_derivative_9
Tranylcypromine_derivative_9
Property
Value
Molecule Weight
189.17
Acceptor count
3
Donor count
2
XLOGP
1.28
Rotatable bond
3
Aromatic rings
2
Download 2D Structure
Download 3D Structure
0.14
-
-
Binds to JMJD3 domain of KDM6
24325601
Daminozide_analogue_22
Daminozide_analogue_22
Property
Value
Molecule Weight
174.2
Acceptor count
5
Donor count
1
XLOGP
0
Rotatable bond
9
Aromatic rings
0
Download 2D Structure
Download 3D Structure
100
-
-
-
22724510
Daminozide_analogue_23
Daminozide_analogue_23
Property
Value
Molecule Weight
146.15
Acceptor count
5
Donor count
3
XLOGP
-1.17
Rotatable bond
7
Aromatic rings
0
Download 2D Structure
Download 3D Structure
100
-
-
-
22724510
Daminozide_analogue_24
Daminozide_analogue_24
Property
Value
Molecule Weight
132.12
Acceptor count
5
Donor count
3
XLOGP
-1.47
Rotatable bond
6
Aromatic rings
0
Download 2D Structure
Download 3D Structure
100
-
-
-
22724510
Daminozide_analogue_25
Daminozide_analogue_25
Property
Value
Molecule Weight
133.1
Acceptor count
5
Donor count
3
XLOGP
-0.77
Rotatable bond
6
Aromatic rings
0
Download 2D Structure
Download 3D Structure
1.1
-
-
-
22724510
Daminozide_analogue_26
Daminozide_analogue_26
Property
Value
Molecule Weight
174.2
Acceptor count
5
Donor count
1
XLOGP
-0.85
Rotatable bond
9
Aromatic rings
0
Download 2D Structure
Download 3D Structure
100
-
-
-
22724510
Daminozide_analogue_27
Daminozide_analogue_27
Property
Value
Molecule Weight
159.19
Acceptor count
4
Donor count
2
XLOGP
0.09
Rotatable bond
8
Aromatic rings
0
Download 2D Structure
Download 3D Structure
100
-
-
-
22724510
Daminozide_analogue_28
Daminozide_analogue_28
Property
Value
Molecule Weight
158.15
Acceptor count
4
Donor count
1
XLOGP
-0.63
Rotatable bond
7
Aromatic rings
0
Download 2D Structure
Download 3D Structure
16.5
-
-
-
22724510
Daminozide_analogue_29
Daminozide_analogue_29
Property
Value
Molecule Weight
161.16
Acceptor count
5
Donor count
1
XLOGP
-0.76
Rotatable bond
8
Aromatic rings
0
Download 2D Structure
Download 3D Structure
41.7
-
-
-
22724510
Daminozide_analogue_30
Daminozide_analogue_30
Property
Value
Molecule Weight
202.26
Acceptor count
6
Donor count
2
XLOGP
-1.38
Rotatable bond
11
Aromatic rings
0
Download 2D Structure
Download 3D Structure
100
-
-
-
22724510
ATAD2
ATAD2
Click to Expand
total 35 compounds
Ligand Name
IC
50
(µM)
Inhibition
Ki
Comments
PubMed ID
triazolo_phthalaine_derv_1
triazolo_phthalaine_derv_1
Property
Value
Molecule Weight
331.38
Acceptor count
2
Donor count
1
XLOGP
4.12
Rotatable bond
6
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_2
triazolo_phthalaine_derv_2
Property
Value
Molecule Weight
345.4
Acceptor count
2
Donor count
1
XLOGP
4.53
Rotatable bond
7
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_3
triazolo_phthalaine_derv_3
Property
Value
Molecule Weight
367.43
Acceptor count
4
Donor count
1
XLOGP
2.64
Rotatable bond
6
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_4
triazolo_phthalaine_derv_4
Property
Value
Molecule Weight
381.46
Acceptor count
4
Donor count
0
XLOGP
2.81
Rotatable bond
7
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_5
triazolo_phthalaine_derv_5
Property
Value
Molecule Weight
409.51
Acceptor count
4
Donor count
1
XLOGP
3.95
Rotatable bond
9
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_6
triazolo_phthalaine_derv_6
Property
Value
Molecule Weight
449.58
Acceptor count
4
Donor count
0
XLOGP
4.73
Rotatable bond
7
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_7
triazolo_phthalaine_derv_7
Property
Value
Molecule Weight
449.58
Acceptor count
3
Donor count
0
XLOGP
4.64
Rotatable bond
5
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_8
triazolo_phthalaine_derv_8
Property
Value
Molecule Weight
443.53
Acceptor count
4
Donor count
1
XLOGP
4.36
Rotatable bond
7
Aromatic rings
4
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_9
triazolo_phthalaine_derv_9
Property
Value
Molecule Weight
429.5
Acceptor count
4
Donor count
1
XLOGP
4.08
Rotatable bond
6
Aromatic rings
4
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_10
triazolo_phthalaine_derv_10
Property
Value
Molecule Weight
457.56
Acceptor count
4
Donor count
1
XLOGP
4.87
Rotatable bond
8
Aromatic rings
4
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_11
triazolo_phthalaine_derv_11
Property
Value
Molecule Weight
367.43
Acceptor count
4
Donor count
1
XLOGP
0
Rotatable bond
6
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_12
triazolo_phthalaine_derv_12
Property
Value
Molecule Weight
429.5
Acceptor count
4
Donor count
1
XLOGP
0
Rotatable bond
6
Aromatic rings
4
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_13
triazolo_phthalaine_derv_13
Property
Value
Molecule Weight
443.53
Acceptor count
4
Donor count
1
XLOGP
0
Rotatable bond
7
Aromatic rings
4
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_14
triazolo_phthalaine_derv_14
Property
Value
Molecule Weight
443.53
Acceptor count
4
Donor count
1
XLOGP
4.5
Rotatable bond
7
Aromatic rings
4
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_15
triazolo_phthalaine_derv_15
Property
Value
Molecule Weight
455.54
Acceptor count
4
Donor count
1
XLOGP
4.59
Rotatable bond
6
Aromatic rings
4
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_16
triazolo_phthalaine_derv_16
Property
Value
Molecule Weight
445.5
Acceptor count
5
Donor count
2
XLOGP
3.17
Rotatable bond
7
Aromatic rings
4
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_17
triazolo_phthalaine_derv_17
Property
Value
Molecule Weight
544.63
Acceptor count
7
Donor count
2
XLOGP
4.74
Rotatable bond
13
Aromatic rings
4
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_18
triazolo_phthalaine_derv_18
Property
Value
Molecule Weight
444.52
Acceptor count
5
Donor count
2
XLOGP
3.04
Rotatable bond
7
Aromatic rings
4
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_19
triazolo_phthalaine_derv_19
Property
Value
Molecule Weight
449.92
Acceptor count
4
Donor count
1
XLOGP
0
Rotatable bond
5
Aromatic rings
4
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_20
triazolo_phthalaine_derv_20
Property
Value
Molecule Weight
449.92
Acceptor count
4
Donor count
1
XLOGP
0
Rotatable bond
5
Aromatic rings
4
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_21
triazolo_phthalaine_derv_21
Property
Value
Molecule Weight
304.31
Acceptor count
2
Donor count
1
XLOGP
4.08
Rotatable bond
4
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_22
triazolo_phthalaine_derv_22
Property
Value
Molecule Weight
349.31
Acceptor count
5
Donor count
1
XLOGP
3.95
Rotatable bond
5
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_23
triazolo_phthalaine_derv_23
Property
Value
Molecule Weight
318.33
Acceptor count
2
Donor count
1
XLOGP
4.18
Rotatable bond
5
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_24
triazolo_phthalaine_derv_24
Property
Value
Molecule Weight
260.3
Acceptor count
0
Donor count
0
XLOGP
4.51
Rotatable bond
2
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_25
triazolo_phthalaine_derv_25
Property
Value
Molecule Weight
390.4
Acceptor count
3
Donor count
0
XLOGP
3.96
Rotatable bond
4
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_26
triazolo_phthalaine_derv_26
Property
Value
Molecule Weight
360.42
Acceptor count
1
Donor count
1
XLOGP
3.34
Rotatable bond
4
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_27
triazolo_phthalaine_derv_27
Property
Value
Molecule Weight
514.61
Acceptor count
4
Donor count
1
XLOGP
0
Rotatable bond
7
Aromatic rings
4
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_28
triazolo_phthalaine_derv_28
Property
Value
Molecule Weight
438.51
Acceptor count
4
Donor count
1
XLOGP
0
Rotatable bond
6
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_29
triazolo_phthalaine_derv_29
Property
Value
Molecule Weight
535.03
Acceptor count
4
Donor count
1
XLOGP
0
Rotatable bond
6
Aromatic rings
4
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_30
triazolo_phthalaine_derv_30
Property
Value
Molecule Weight
535.03
Acceptor count
4
Donor count
1
XLOGP
0
Rotatable bond
6
Aromatic rings
4
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_31
triazolo_phthalaine_derv_31
Property
Value
Molecule Weight
535.03
Acceptor count
4
Donor count
1
XLOGP
0
Rotatable bond
6
Aromatic rings
4
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_32
triazolo_phthalaine_derv_32
Property
Value
Molecule Weight
569.47
Acceptor count
4
Donor count
1
XLOGP
0
Rotatable bond
6
Aromatic rings
4
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_33
triazolo_phthalaine_derv_33
Property
Value
Molecule Weight
530.61
Acceptor count
5
Donor count
1
XLOGP
0
Rotatable bond
8
Aromatic rings
4
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_34
triazolo_phthalaine_derv_34
Property
Value
Molecule Weight
551.03
Acceptor count
5
Donor count
2
XLOGP
0
Rotatable bond
7
Aromatic rings
4
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_35
triazolo_phthalaine_derv_35
Property
Value
Molecule Weight
550.04
Acceptor count
5
Donor count
2
XLOGP
0
Rotatable bond
7
Aromatic rings
4
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
BAZ2A
BAZ2A
Click to Expand
total 35 compounds
Ligand Name
IC
50
(µM)
Inhibition
Ki
Comments
PubMed ID
triazolo_phthalaine_derv_1
triazolo_phthalaine_derv_1
Property
Value
Molecule Weight
331.38
Acceptor count
2
Donor count
1
XLOGP
4.12
Rotatable bond
6
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_2
triazolo_phthalaine_derv_2
Property
Value
Molecule Weight
345.4
Acceptor count
2
Donor count
1
XLOGP
4.53
Rotatable bond
7
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_3
triazolo_phthalaine_derv_3
Property
Value
Molecule Weight
367.43
Acceptor count
4
Donor count
1
XLOGP
2.64
Rotatable bond
6
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_4
triazolo_phthalaine_derv_4
Property
Value
Molecule Weight
381.46
Acceptor count
4
Donor count
0
XLOGP
2.81
Rotatable bond
7
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_5
triazolo_phthalaine_derv_5
Property
Value
Molecule Weight
409.51
Acceptor count
4
Donor count
1
XLOGP
3.95
Rotatable bond
9
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_6
triazolo_phthalaine_derv_6
Property
Value
Molecule Weight
449.58
Acceptor count
4
Donor count
0
XLOGP
4.73
Rotatable bond
7
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_7
triazolo_phthalaine_derv_7
Property
Value
Molecule Weight
449.58
Acceptor count
3
Donor count
0
XLOGP
4.64
Rotatable bond
5
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_8
triazolo_phthalaine_derv_8
Property
Value
Molecule Weight
443.53
Acceptor count
4
Donor count
1
XLOGP
4.36
Rotatable bond
7
Aromatic rings
4
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_9
triazolo_phthalaine_derv_9
Property
Value
Molecule Weight
429.5
Acceptor count
4
Donor count
1
XLOGP
4.08
Rotatable bond
6
Aromatic rings
4
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_10
triazolo_phthalaine_derv_10
Property
Value
Molecule Weight
457.56
Acceptor count
4
Donor count
1
XLOGP
4.87
Rotatable bond
8
Aromatic rings
4
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_11
triazolo_phthalaine_derv_11
Property
Value
Molecule Weight
367.43
Acceptor count
4
Donor count
1
XLOGP
0
Rotatable bond
6
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_12
triazolo_phthalaine_derv_12
Property
Value
Molecule Weight
429.5
Acceptor count
4
Donor count
1
XLOGP
0
Rotatable bond
6
Aromatic rings
4
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_13
triazolo_phthalaine_derv_13
Property
Value
Molecule Weight
443.53
Acceptor count
4
Donor count
1
XLOGP
0
Rotatable bond
7
Aromatic rings
4
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_14
triazolo_phthalaine_derv_14
Property
Value
Molecule Weight
443.53
Acceptor count
4
Donor count
1
XLOGP
4.5
Rotatable bond
7
Aromatic rings
4
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_15
triazolo_phthalaine_derv_15
Property
Value
Molecule Weight
455.54
Acceptor count
4
Donor count
1
XLOGP
4.59
Rotatable bond
6
Aromatic rings
4
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_16
triazolo_phthalaine_derv_16
Property
Value
Molecule Weight
445.5
Acceptor count
5
Donor count
2
XLOGP
3.17
Rotatable bond
7
Aromatic rings
4
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_17
triazolo_phthalaine_derv_17
Property
Value
Molecule Weight
544.63
Acceptor count
7
Donor count
2
XLOGP
4.74
Rotatable bond
13
Aromatic rings
4
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_18
triazolo_phthalaine_derv_18
Property
Value
Molecule Weight
444.52
Acceptor count
5
Donor count
2
XLOGP
3.04
Rotatable bond
7
Aromatic rings
4
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_19
triazolo_phthalaine_derv_19
Property
Value
Molecule Weight
449.92
Acceptor count
4
Donor count
1
XLOGP
0
Rotatable bond
5
Aromatic rings
4
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_20
triazolo_phthalaine_derv_20
Property
Value
Molecule Weight
449.92
Acceptor count
4
Donor count
1
XLOGP
0
Rotatable bond
5
Aromatic rings
4
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_21
triazolo_phthalaine_derv_21
Property
Value
Molecule Weight
304.31
Acceptor count
2
Donor count
1
XLOGP
4.08
Rotatable bond
4
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_22
triazolo_phthalaine_derv_22
Property
Value
Molecule Weight
349.31
Acceptor count
5
Donor count
1
XLOGP
3.95
Rotatable bond
5
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_23
triazolo_phthalaine_derv_23
Property
Value
Molecule Weight
318.33
Acceptor count
2
Donor count
1
XLOGP
4.18
Rotatable bond
5
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_24
triazolo_phthalaine_derv_24
Property
Value
Molecule Weight
260.3
Acceptor count
0
Donor count
0
XLOGP
4.51
Rotatable bond
2
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_25
triazolo_phthalaine_derv_25
Property
Value
Molecule Weight
390.4
Acceptor count
3
Donor count
0
XLOGP
3.96
Rotatable bond
4
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_26
triazolo_phthalaine_derv_26
Property
Value
Molecule Weight
360.42
Acceptor count
1
Donor count
1
XLOGP
3.34
Rotatable bond
4
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_27
triazolo_phthalaine_derv_27
Property
Value
Molecule Weight
514.61
Acceptor count
4
Donor count
1
XLOGP
0
Rotatable bond
7
Aromatic rings
4
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_28
triazolo_phthalaine_derv_28
Property
Value
Molecule Weight
438.51
Acceptor count
4
Donor count
1
XLOGP
0
Rotatable bond
6
Aromatic rings
3
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_29
triazolo_phthalaine_derv_29
Property
Value
Molecule Weight
535.03
Acceptor count
4
Donor count
1
XLOGP
0
Rotatable bond
6
Aromatic rings
4
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_30
triazolo_phthalaine_derv_30
Property
Value
Molecule Weight
535.03
Acceptor count
4
Donor count
1
XLOGP
0
Rotatable bond
6
Aromatic rings
4
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_31
triazolo_phthalaine_derv_31
Property
Value
Molecule Weight
535.03
Acceptor count
4
Donor count
1
XLOGP
0
Rotatable bond
6
Aromatic rings
4
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_32
triazolo_phthalaine_derv_32
Property
Value
Molecule Weight
569.47
Acceptor count
4
Donor count
1
XLOGP
0
Rotatable bond
6
Aromatic rings
4
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_33
triazolo_phthalaine_derv_33
Property
Value
Molecule Weight
530.61
Acceptor count
5
Donor count
1
XLOGP
0
Rotatable bond
8
Aromatic rings
4
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_34
triazolo_phthalaine_derv_34
Property
Value
Molecule Weight
551.03
Acceptor count
5
Donor count
2
XLOGP
0
Rotatable bond
7
Aromatic rings
4
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
triazolo_phthalaine_derv_35
triazolo_phthalaine_derv_35
Property
Value
Molecule Weight
550.04
Acceptor count
5
Donor count
2
XLOGP
0
Rotatable bond
7
Aromatic rings
4
Download 2D Structure
Download 3D Structure
-
-
-
Differential scanning fluorimetry (DSF) screening; Tm shift calculated
24313754
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