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Small molecule modulators of Epigenetic proteins
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Protein Name
Protein Structure
Compounds
TAF1L_bromodomain2
TAF1L_bromodomain2
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
TIF1A
TIF1A
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
-
-
-
pIC50 = 4; 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
-
-
-
pIC50 = 4; 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
-
-
-
pIC50 = 4; 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
-
-
-
pIC50 = 4; 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
CBX7
CBX7
Click to Expand
total 145 compounds
Ligand Name
IC
50
(µM)
Inhibition
Ki
Comments
PubMed ID
Pyrrolidine_derv_7
Pyrrolidine_derv_7
Property
Value
Molecule Weight
376.32
Acceptor count
4
Donor count
1
XLOGP
1.03
Rotatable bond
8
Aromatic rings
1
Download 2D Structure
Download 3D Structure
-
-
-
-
21417280
Pyrrolidine_derv_14
Pyrrolidine_derv_14
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
-
-
-
-
21417280
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
-
-
-
24040942
FALKme3S_analog_1
FALKme3S_analog_1
Property
Value
Molecule Weight
648.82
Acceptor count
14
Donor count
7
XLOGP
0
Rotatable bond
34
Aromatic rings
1
Download 2D Structure
Download 3D Structure
11
-
-
-
24625057
FALKme3S_analog_3
FALKme3S_analog_3
Property
Value
Molecule Weight
634.8
Acceptor count
14
Donor count
7
XLOGP
0
Rotatable bond
33
Aromatic rings
1
Download 2D Structure
Download 3D Structure
6.8
-
-
-
24625057
FALKme3S_analog_4
FALKme3S_analog_4
Property
Value
Molecule Weight
648.82
Acceptor count
14
Donor count
7
XLOGP
0
Rotatable bond
34
Aromatic rings
1
Download 2D Structure
Download 3D Structure
5.7
-
-
-
24625057
FALKme3S_analog_5
FALKme3S_analog_5
Property
Value
Molecule Weight
648.82
Acceptor count
14
Donor count
7
XLOGP
0
Rotatable bond
34
Aromatic rings
1
Download 2D Structure
Download 3D Structure
67
-
-
-
24625057
FALKme3S_analog_6
FALKme3S_analog_6
Property
Value
Molecule Weight
648.82
Acceptor count
14
Donor count
7
XLOGP
0
Rotatable bond
34
Aromatic rings
1
Download 2D Structure
Download 3D Structure
23
-
-
-
24625057
FALKme3S_analog_7
FALKme3S_analog_7
Property
Value
Molecule Weight
666.86
Acceptor count
15
Donor count
7
XLOGP
0
Rotatable bond
34
Aromatic rings
1
Download 2D Structure
Download 3D Structure
62
-
-
-
24625057
FALKme3S_analog_8
FALKme3S_analog_8
Property
Value
Molecule Weight
636.77
Acceptor count
15
Donor count
8
XLOGP
0
Rotatable bond
33
Aromatic rings
1
Download 2D Structure
Download 3D Structure
35
-
-
-
24625057
FALKme3S_analog_9
FALKme3S_analog_9
Property
Value
Molecule Weight
663.84
Acceptor count
15
Donor count
8
XLOGP
0
Rotatable bond
35
Aromatic rings
1
Download 2D Structure
Download 3D Structure
10.1
-
-
-
24625057
FALKme3S_analog_10
FALKme3S_analog_10
Property
Value
Molecule Weight
682.84
Acceptor count
14
Donor count
7
XLOGP
0
Rotatable bond
32
Aromatic rings
2
Download 2D Structure
Download 3D Structure
10.3
-
-
-
24625057
FALKme3S_analog_11
FALKme3S_analog_11
Property
Value
Molecule Weight
698.84
Acceptor count
15
Donor count
8
XLOGP
0
Rotatable bond
33
Aromatic rings
2
Download 2D Structure
Download 3D Structure
6.2
-
-
-
24625057
FALKme3S_analog_12
FALKme3S_analog_12
Property
Value
Molecule Weight
721.88
Acceptor count
14
Donor count
8
XLOGP
0
Rotatable bond
32
Aromatic rings
3
Download 2D Structure
Download 3D Structure
13
-
-
-
24625057
FALKme3S_analog_13
FALKme3S_analog_13
Property
Value
Molecule Weight
683.83
Acceptor count
14
Donor count
7
XLOGP
0
Rotatable bond
32
Aromatic rings
2
Download 2D Structure
Download 3D Structure
11
-
-
-
24625057
FALKme3S_analog_14
FALKme3S_analog_14
Property
Value
Molecule Weight
632.78
Acceptor count
14
Donor count
7
XLOGP
0
Rotatable bond
31
Aromatic rings
1
Download 2D Structure
Download 3D Structure
21
-
-
-
24625057
FALKme3S_analog_15
FALKme3S_analog_15
Property
Value
Molecule Weight
646.81
Acceptor count
14
Donor count
7
XLOGP
0
Rotatable bond
32
Aromatic rings
1
Download 2D Structure
Download 3D Structure
11.2
-
-
-
24625057
FALKme3S_analog_16
FALKme3S_analog_16
Property
Value
Molecule Weight
660.83
Acceptor count
14
Donor count
7
XLOGP
0
Rotatable bond
31
Aromatic rings
1
Download 2D Structure
Download 3D Structure
6
-
-
-
24625057
FALKme3S_analog_17
FALKme3S_analog_17
Property
Value
Molecule Weight
688.89
Acceptor count
14
Donor count
7
XLOGP
0
Rotatable bond
32
Aromatic rings
1
Download 2D Structure
Download 3D Structure
8.8
-
-
-
24625057
FALKme3S_analog_18
FALKme3S_analog_18
Property
Value
Molecule Weight
662.85
Acceptor count
14
Donor count
7
XLOGP
0
Rotatable bond
35
Aromatic rings
1
Download 2D Structure
Download 3D Structure
39
-
-
-
24625057
FALKme3S_analog_19
FALKme3S_analog_19
Property
Value
Molecule Weight
690.9
Acceptor count
14
Donor count
7
XLOGP
0
Rotatable bond
37
Aromatic rings
1
Download 2D Structure
Download 3D Structure
120
-
-
-
24625057
FALKme3S_analog_20
FALKme3S_analog_20
Property
Value
Molecule Weight
664.82
Acceptor count
15
Donor count
8
XLOGP
0
Rotatable bond
35
Aromatic rings
1
Download 2D Structure
Download 3D Structure
53
-
-
-
24625057
FALKme3S_analog_21
FALKme3S_analog_21
Property
Value
Molecule Weight
676.88
Acceptor count
14
Donor count
7
XLOGP
0
Rotatable bond
36
Aromatic rings
1
Download 2D Structure
Download 3D Structure
500
-
-
-
24625057
FALKme3S_analog_22
FALKme3S_analog_22
Property
Value
Molecule Weight
649.81
Acceptor count
14
Donor count
7
XLOGP
0
Rotatable bond
34
Aromatic rings
1
Download 2D Structure
Download 3D Structure
27
-
-
-
24625057
FALKme3S_analog_23
FALKme3S_analog_23
Property
Value
Molecule Weight
648.82
Acceptor count
14
Donor count
7
XLOGP
0
Rotatable bond
34
Aromatic rings
1
Download 2D Structure
Download 3D Structure
9
-
-
-
24625057
FALKme3S_analog_24
FALKme3S_analog_24
Property
Value
Molecule Weight
649.81
Acceptor count
14
Donor count
7
XLOGP
0
Rotatable bond
34
Aromatic rings
1
Download 2D Structure
Download 3D Structure
79
-
-
-
24625057
FALKme3S_analog_25
FALKme3S_analog_25
Property
Value
Molecule Weight
562.73
Acceptor count
11
Donor count
5
XLOGP
0
Rotatable bond
29
Aromatic rings
1
Download 2D Structure
Download 3D Structure
560
-
-
-
24625057
FALKme3S_analog_26
FALKme3S_analog_26
Property
Value
Molecule Weight
647.88
Acceptor count
12
Donor count
6
XLOGP
0
Rotatable bond
35
Aromatic rings
1
Download 2D Structure
Download 3D Structure
250
-
-
-
24625057
FALKme3S_analog_27
FALKme3S_analog_27
Property
Value
Molecule Weight
647.88
Acceptor count
12
Donor count
6
XLOGP
0
Rotatable bond
35
Aromatic rings
1
Download 2D Structure
Download 3D Structure
500
-
-
-
24625057
FALKme3S_analog_28
FALKme3S_analog_28
Property
Value
Molecule Weight
659.89
Acceptor count
12
Donor count
6
XLOGP
0
Rotatable bond
31
Aromatic rings
1
Download 2D Structure
Download 3D Structure
250
-
-
-
24625057
FALKme3S_analog_29
FALKme3S_analog_29
Property
Value
Molecule Weight
659.89
Acceptor count
12
Donor count
6
XLOGP
0
Rotatable bond
32
Aromatic rings
1
Download 2D Structure
Download 3D Structure
250
-
-
-
24625057
FALKme3S_analog_30
FALKme3S_analog_30
Property
Value
Molecule Weight
677.87
Acceptor count
11
Donor count
6
XLOGP
0
Rotatable bond
30
Aromatic rings
3
Download 2D Structure
Download 3D Structure
35
-
-
-
24625057
FALKme3S_analog_31
FALKme3S_analog_31
Property
Value
Molecule Weight
603.83
Acceptor count
11
Donor count
5
XLOGP
0
Rotatable bond
32
Aromatic rings
1
Download 2D Structure
Download 3D Structure
102
-
-
-
24625057
FALKme3S_analog_32
FALKme3S_analog_32
Property
Value
Molecule Weight
605.8
Acceptor count
12
Donor count
6
XLOGP
0
Rotatable bond
32
Aromatic rings
1
Download 2D Structure
Download 3D Structure
26
-
-
-
24625057
FALKme3S_analog_33
FALKme3S_analog_33
Property
Value
Molecule Weight
635.82
Acceptor count
13
Donor count
7
XLOGP
0
Rotatable bond
34
Aromatic rings
1
Download 2D Structure
Download 3D Structure
23
-
-
-
24625057
FALKme3S_analog_34
FALKme3S_analog_34
Property
Value
Molecule Weight
604.81
Acceptor count
12
Donor count
6
XLOGP
0
Rotatable bond
32
Aromatic rings
1
Download 2D Structure
Download 3D Structure
22
-
-
-
24625057
FALKme3S_analog_35
FALKme3S_analog_35
Property
Value
Molecule Weight
704.93
Acceptor count
14
Donor count
6
XLOGP
0
Rotatable bond
38
Aromatic rings
1
Download 2D Structure
Download 3D Structure
105
-
-
-
24625057
FALKme3S_analog_36
FALKme3S_analog_36
Property
Value
Molecule Weight
664.82
Acceptor count
15
Donor count
8
XLOGP
0
Rotatable bond
35
Aromatic rings
1
Download 2D Structure
Download 3D Structure
8.6
-
-
-
24625057
FALKme3S_analog_37
FALKme3S_analog_37
Property
Value
Molecule Weight
687.86
Acceptor count
14
Donor count
8
XLOGP
0
Rotatable bond
34
Aromatic rings
2
Download 2D Structure
Download 3D Structure
7.8
-
-
-
24625057
FALKme3S_analog_38
FALKme3S_analog_38
Property
Value
Molecule Weight
634.8
Acceptor count
14
Donor count
7
XLOGP
0
Rotatable bond
33
Aromatic rings
1
Download 2D Structure
Download 3D Structure
26
-
-
-
24625057
FALKme3S_analog_39
FALKme3S_analog_39
Property
Value
Molecule Weight
563.72
Acceptor count
12
Donor count
6
XLOGP
0
Rotatable bond
29
Aromatic rings
1
Download 2D Structure
Download 3D Structure
57
-
-
-
24625057
FALKme3S_analog_40
FALKme3S_analog_40
Property
Value
Molecule Weight
564.71
Acceptor count
12
Donor count
6
XLOGP
0
Rotatable bond
29
Aromatic rings
1
Download 2D Structure
Download 3D Structure
91
-
-
-
24625057
FALKme3S_analog_41
FALKme3S_analog_41
Property
Value
Molecule Weight
577.74
Acceptor count
12
Donor count
6
XLOGP
0
Rotatable bond
30
Aromatic rings
1
Download 2D Structure
Download 3D Structure
23
-
-
-
24625057
FALKme3S_analog_42
FALKme3S_analog_42
Property
Value
Molecule Weight
656.64
Acceptor count
12
Donor count
6
XLOGP
0
Rotatable bond
30
Aromatic rings
1
Download 2D Structure
Download 3D Structure
89
-
-
-
24625057
FALKme3S_analog_43
FALKme3S_analog_43
Property
Value
Molecule Weight
591.77
Acceptor count
12
Donor count
6
XLOGP
0
Rotatable bond
31
Aromatic rings
1
Download 2D Structure
Download 3D Structure
26
-
-
-
24625057
FALKme3S_analog_44
FALKme3S_analog_44
Property
Value
Molecule Weight
602.75
Acceptor count
12
Donor count
7
XLOGP
0
Rotatable bond
29
Aromatic rings
2
Download 2D Structure
Download 3D Structure
67
-
-
-
24625057
FALKme3S_analog_45
FALKme3S_analog_45
Property
Value
Molecule Weight
620.77
Acceptor count
14
Donor count
7
XLOGP
0
Rotatable bond
32
Aromatic rings
1
Download 2D Structure
Download 3D Structure
58
-
-
-
24625057
FALKme3S_analog_46
FALKme3S_analog_46
Property
Value
Molecule Weight
634.8
Acceptor count
14
Donor count
7
XLOGP
0
Rotatable bond
33
Aromatic rings
1
Download 2D Structure
Download 3D Structure
100
-
-
-
24625057
FALKme3S_analog_47
FALKme3S_analog_47
Property
Value
Molecule Weight
593.74
Acceptor count
13
Donor count
6
XLOGP
0
Rotatable bond
31
Aromatic rings
1
Download 2D Structure
Download 3D Structure
58
-
-
-
24625057
FALKme3S_analog_48
FALKme3S_analog_48
Property
Value
Molecule Weight
629.8
Acceptor count
15
Donor count
6
XLOGP
0
Rotatable bond
31
Aromatic rings
1
Download 2D Structure
Download 3D Structure
250
-
-
-
24625057
FALKme3S_analog_49
FALKme3S_analog_49
Property
Value
Molecule Weight
600.76
Acceptor count
14
Donor count
6
XLOGP
0
Rotatable bond
29
Aromatic rings
1
Download 2D Structure
Download 3D Structure
250
-
-
-
24625057
FALKme3S_analog_50
FALKme3S_analog_50
Property
Value
Molecule Weight
670.85
Acceptor count
16
Donor count
7
XLOGP
0
Rotatable bond
33
Aromatic rings
1
Download 2D Structure
Download 3D Structure
34
-
-
-
24625057
FALKme3S_analog_51
FALKme3S_analog_51
Property
Value
Molecule Weight
700.83
Acceptor count
18
Donor count
8
XLOGP
0
Rotatable bond
34
Aromatic rings
1
Download 2D Structure
Download 3D Structure
53
-
-
-
24625057
FALKme3S_analog_52
FALKme3S_analog_52
Property
Value
Molecule Weight
593.74
Acceptor count
13
Donor count
7
XLOGP
0
Rotatable bond
31
Aromatic rings
1
Download 2D Structure
Download 3D Structure
2000
-
-
-
24625057
FALKme3S_analog_53
FALKme3S_analog_53
Property
Value
Molecule Weight
549.73
Acceptor count
11
Donor count
6
XLOGP
0
Rotatable bond
29
Aromatic rings
1
Download 2D Structure
Download 3D Structure
2000
-
-
-
24625057
FALKme3S_analog_54
FALKme3S_analog_54
Property
Value
Molecule Weight
789.79
Acceptor count
14
Donor count
7
XLOGP
0
Rotatable bond
34
Aromatic rings
2
Download 2D Structure
Download 3D Structure
4.6
-
-
-
24625057
FALKme3S_analog_55
FALKme3S_analog_55
Property
Value
Molecule Weight
754.9
Acceptor count
16
Donor count
8
XLOGP
0
Rotatable bond
36
Aromatic rings
2
Download 2D Structure
Download 3D Structure
6.2
-
-
-
24625057
FALKme3S_analog_56
FALKme3S_analog_56
Property
Value
Molecule Weight
768.93
Acceptor count
16
Donor count
7
XLOGP
0
Rotatable bond
37
Aromatic rings
2
Download 2D Structure
Download 3D Structure
6.3
-
-
-
24625057
FALKme3S_analog_57
FALKme3S_analog_57
Property
Value
Molecule Weight
790.96
Acceptor count
18
Donor count
8
XLOGP
0
Rotatable bond
36
Aromatic rings
2
Download 2D Structure
Download 3D Structure
6.7
-
-
-
24625057
FALKme3S_analog_58
FALKme3S_analog_58
Property
Value
Molecule Weight
760.98
Acceptor count
16
Donor count
7
XLOGP
0
Rotatable bond
35
Aromatic rings
2
Download 2D Structure
Download 3D Structure
250
-
-
-
24625057
FALKme3S_analog_59
FALKme3S_analog_59
Property
Value
Molecule Weight
710.89
Acceptor count
14
Donor count
7
XLOGP
0
Rotatable bond
34
Aromatic rings
2
Download 2D Structure
Download 3D Structure
8.8
-
-
-
24625057
FALKme3S_analog_60
FALKme3S_analog_60
Property
Value
Molecule Weight
804.99
Acceptor count
18
Donor count
7
XLOGP
0
Rotatable bond
37
Aromatic rings
2
Download 2D Structure
Download 3D Structure
57
-
-
-
24625057
FALKme3S_analog_61
FALKme3S_analog_61
Property
Value
Molecule Weight
576.76
Acceptor count
11
Donor count
6
XLOGP
0
Rotatable bond
27
Aromatic rings
1
Download 2D Structure
Download 3D Structure
4.1
-
-
-
24625057
FALKme3S_analog_62
FALKme3S_analog_62
Property
Value
Molecule Weight
757.79
Acceptor count
12
Donor count
6
XLOGP
0
Rotatable bond
29
Aromatic rings
2
Download 2D Structure
Download 3D Structure
0.22
-
-
-
24625057
FALKme3S_analog_63
FALKme3S_analog_63
Property
Value
Molecule Weight
780.94
Acceptor count
16
Donor count
7
XLOGP
0
Rotatable bond
34
Aromatic rings
2
Download 2D Structure
Download 3D Structure
0.2
-
-
-
24625057
FALKme3S_analog_64
FALKme3S_analog_64
Property
Value
Molecule Weight
767.94
Acceptor count
15
Donor count
7
XLOGP
0
Rotatable bond
34
Aromatic rings
2
Download 2D Structure
Download 3D Structure
0.2
-
-
-
24625057
piperdine_pyrroldine_derv_1
piperdine_pyrroldine_derv_1
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
-
9 % inhibition at 30 µM
-
-
Herold et. al., Med. Chem. Communication., 2012, 3, 45-51
piperdine_pyrroldine_derv_2
piperdine_pyrroldine_derv_2
Property
Value
Molecule Weight
337.26
Acceptor count
1
Donor count
0
XLOGP
3.19
Rotatable bond
3
Aromatic rings
1
Download 2D Structure
Download 3D Structure
-
11 % inhibition at 30 µM
-
-
Herold et. al., Med. Chem. Communication., 2012, 3, 45-51
piperdine_pyrroldine_derv_3
piperdine_pyrroldine_derv_3
Property
Value
Molecule Weight
337.26
Acceptor count
1
Donor count
0
XLOGP
3.19
Rotatable bond
3
Aromatic rings
1
Download 2D Structure
Download 3D Structure
-
Not active
-
-
Herold et. al., Med. Chem. Communication., 2012, 3, 45-51
piperdine_pyrroldine_derv_4
piperdine_pyrroldine_derv_4
Property
Value
Molecule Weight
337.26
Acceptor count
1
Donor count
0
XLOGP
3.19
Rotatable bond
3
Aromatic rings
1
Download 2D Structure
Download 3D Structure
-
17 % inhibition at 30 µM
-
-
Herold et. al., Med. Chem. Communication., 2012, 3, 45-51
piperdine_pyrroldine_derv_5
piperdine_pyrroldine_derv_5
Property
Value
Molecule Weight
258.36
Acceptor count
1
Donor count
0
XLOGP
2.4
Rotatable bond
3
Aromatic rings
1
Download 2D Structure
Download 3D Structure
-
Not active
-
-
Herold et. al., Med. Chem. Communication., 2012, 3, 45-51
piperdine_pyrroldine_derv_6
piperdine_pyrroldine_derv_6
Property
Value
Molecule Weight
302.37
Acceptor count
3
Donor count
1
XLOGP
1.97
Rotatable bond
5
Aromatic rings
1
Download 2D Structure
Download 3D Structure
-
4 % inhibition at 30 µM
-
-
Herold et. al., Med. Chem. Communication., 2012, 3, 45-51
piperdine_pyrroldine_derv_7
piperdine_pyrroldine_derv_7
Property
Value
Molecule Weight
315.42
Acceptor count
3
Donor count
1
XLOGP
1.74
Rotatable bond
6
Aromatic rings
1
Download 2D Structure
Download 3D Structure
-
Not active
-
-
Herold et. al., Med. Chem. Communication., 2012, 3, 45-51
piperdine_pyrroldine_derv_8
piperdine_pyrroldine_derv_8
Property
Value
Molecule Weight
351.29
Acceptor count
1
Donor count
0
XLOGP
3.64
Rotatable bond
3
Aromatic rings
1
Download 2D Structure
Download 3D Structure
-
3 % inhibition at 30 µM
-
-
Herold et. al., Med. Chem. Communication., 2012, 3, 45-51
piperdine_pyrroldine_derv_9
piperdine_pyrroldine_derv_9
Property
Value
Molecule Weight
351.29
Acceptor count
1
Donor count
0
XLOGP
3.7
Rotatable bond
4
Aromatic rings
1
Download 2D Structure
Download 3D Structure
-
Not active
-
-
Herold et. al., Med. Chem. Communication., 2012, 3, 45-51
piperdine_pyrroldine_derv_10
piperdine_pyrroldine_derv_10
Property
Value
Molecule Weight
311.22
Acceptor count
2
Donor count
0
XLOGP
2.71
Rotatable bond
5
Aromatic rings
1
Download 2D Structure
Download 3D Structure
-
Not active
-
-
Herold et. al., Med. Chem. Communication., 2012, 3, 45-51
piperdine_pyrroldine_derv_11
piperdine_pyrroldine_derv_11
Property
Value
Molecule Weight
297.19
Acceptor count
2
Donor count
1
XLOGP
2.4
Rotatable bond
4
Aromatic rings
1
Download 2D Structure
Download 3D Structure
-
3 % inhibition at 30 µM
-
-
Herold et. al., Med. Chem. Communication., 2012, 3, 45-51
piperdine_pyrroldine_derv_12
piperdine_pyrroldine_derv_12
Property
Value
Molecule Weight
319.2
Acceptor count
1
Donor count
0
XLOGP
3.05
Rotatable bond
3
Aromatic rings
1
Download 2D Structure
Download 3D Structure
-
11 % inhibition at 30 µM
-
-
Herold et. al., Med. Chem. Communication., 2012, 3, 45-51
piperdine_pyrroldine_derv_13
piperdine_pyrroldine_derv_13
Property
Value
Molecule Weight
352.29
Acceptor count
1
Donor count
0
XLOGP
0
Rotatable bond
4
Aromatic rings
1
Download 2D Structure
Download 3D Structure
-
17 % inhibition at 30 µM
-
-
Herold et. al., Med. Chem. Communication., 2012, 3, 45-51
piperdine_pyrroldine_derv_14
piperdine_pyrroldine_derv_14
Property
Value
Molecule Weight
335.24
Acceptor count
1
Donor count
0
XLOGP
2.86
Rotatable bond
3
Aromatic rings
1
Download 2D Structure
Download 3D Structure
-
18 % inhibition at 30 µM
-
-
Herold et. al., Med. Chem. Communication., 2012, 3, 45-51
piperdine_pyrroldine_derv_15
piperdine_pyrroldine_derv_15
Property
Value
Molecule Weight
337.26
Acceptor count
1
Donor count
1
XLOGP
3.47
Rotatable bond
3
Aromatic rings
1
Download 2D Structure
Download 3D Structure
-
Not active
-
-
Herold et. al., Med. Chem. Communication., 2012, 3, 45-51
piperdine_pyrroldine_derv_16
piperdine_pyrroldine_derv_16
Property
Value
Molecule Weight
351.29
Acceptor count
1
Donor count
0
XLOGP
3.38
Rotatable bond
4
Aromatic rings
1
Download 2D Structure
Download 3D Structure
-
Not active
-
-
Herold et. al., Med. Chem. Communication., 2012, 3, 45-51
piperdine_pyrroldine_derv_17
piperdine_pyrroldine_derv_17
Property
Value
Molecule Weight
336.27
Acceptor count
1
Donor count
0
XLOGP
4.72
Rotatable bond
3
Aromatic rings
1
Download 2D Structure
Download 3D Structure
-
1 % inhibition at 30 µM
-
-
Herold et. al., Med. Chem. Communication., 2012, 3, 45-51
piperdine_pyrroldine_derv_18
piperdine_pyrroldine_derv_18
Property
Value
Molecule Weight
323.23
Acceptor count
1
Donor count
0
XLOGP
2.74
Rotatable bond
3
Aromatic rings
1
Download 2D Structure
Download 3D Structure
-
4 % inhibition at 30 µM
-
-
Herold et. al., Med. Chem. Communication., 2012, 3, 45-51
piperdine_pyrroldine_derv_19
piperdine_pyrroldine_derv_19
Property
Value
Molecule Weight
351.29
Acceptor count
1
Donor count
0
XLOGP
3.64
Rotatable bond
3
Aromatic rings
1
Download 2D Structure
Download 3D Structure
-
13 % inhibition at 30 µM
-
-
Herold et. al., Med. Chem. Communication., 2012, 3, 45-51
piperdine_pyrroldine_derv_20
piperdine_pyrroldine_derv_20
Property
Value
Molecule Weight
363.3
Acceptor count
1
Donor count
0
XLOGP
3.39
Rotatable bond
3
Aromatic rings
1
Download 2D Structure
Download 3D Structure
-
Not active
-
-
Herold et. al., Med. Chem. Communication., 2012, 3, 45-51
piperdine_pyrroldine_derv_21
piperdine_pyrroldine_derv_21
Property
Value
Molecule Weight
373.31
Acceptor count
3
Donor count
0
XLOGP
1.73
Rotatable bond
3
Aromatic rings
1
Download 2D Structure
Download 3D Structure
-
Not active
-
-
Herold et. al., Med. Chem. Communication., 2012, 3, 45-51
piperdine_pyrroldine_derv_22
piperdine_pyrroldine_derv_22
Property
Value
Molecule Weight
323.28
Acceptor count
0
Donor count
0
XLOGP
3.79
Rotatable bond
3
Aromatic rings
1
Download 2D Structure
Download 3D Structure
-
Not active
-
-
Herold et. al., Med. Chem. Communication., 2012, 3, 45-51
piperdine_pyrroldine_derv_23
piperdine_pyrroldine_derv_23
Property
Value
Molecule Weight
337.3
Acceptor count
0
Donor count
0
XLOGP
4.29
Rotatable bond
4
Aromatic rings
1
Download 2D Structure
Download 3D Structure
-
Not active
-
-
Herold et. al., Med. Chem. Communication., 2012, 3, 45-51
piperdine_pyrroldine_derv_24
piperdine_pyrroldine_derv_24
Property
Value
Molecule Weight
320.48
Acceptor count
0
Donor count
0
XLOGP
4.81
Rotatable bond
4
Aromatic rings
2
Download 2D Structure
Download 3D Structure
-
Not active
-
-
Herold et. al., Med. Chem. Communication., 2012, 3, 45-51
PHF13
PHF13
Click to Expand
total 2 compounds
Ligand Name
IC
50
(µM)
Inhibition
Ki
Comments
PubMed ID
Pyrrolidine_derv_7
Pyrrolidine_derv_7
Property
Value
Molecule Weight
376.32
Acceptor count
4
Donor count
1
XLOGP
1.03
Rotatable bond
8
Aromatic rings
1
Download 2D Structure
Download 3D Structure
-
-
-
-
21417280
Pyrrolidine_derv_14
Pyrrolidine_derv_14
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
-
-
-
-
21417280
UHRF1
UHRF1
Click to Expand
total 56 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
-
-
-
24040942
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