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ALA5280243 Name:
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[6-[4-[2-[3-[2-[[2-(2,6-diShow More⌵
Mol. Formula:
C48H55N11O8
M.W.:
914.04
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
3.07
Polar Surface Area:
233.06
HBA:
14
HBD:
5
#RO5 Violations:
2
#Rotatable Bonds:
17
Passes Ro3:
N
QED Weighted:
0.07
DETAILS
CLOSE
ALA5289464 Name:
(2S,4R)-1-[(2S)-2-[[9-[4-[[4-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylShow More⌵
Mol. Formula:
C65H87N9O8S
M.W.:
1154.53
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5289343 Name:
(2S,4R)-4-benzyloxy-1-[(2S)-2-[[9-[4-[[4-[3-[(4,6-dimethyl-2-oxo-1H-pyridinShow More⌵
Mol. Formula:
C72H93N9O8S
M.W.:
1244.66
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
---
Polar Surface Area:
---
HBA:
---
HBD:
---
#RO5 Violations:
na
#Rotatable Bonds:
---
Passes Ro3:
---
QED Weighted:
---
DETAILS
CLOSE
ALA5196227 Name:
1-isopropyl-6-[6-(4-isopropylpiperazin-1-yl)-3-pyridyl]-N-[(6-methyl-2-oxo-Show More⌵
Mol. Formula:
C33H45N7O2
M.W.:
571.77
Type:
---
AlogP:
4.39
Polar Surface Area:
96.60
HBA:
7
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA5196215 Name:
2-(2-((((1r,4r)-4-((8-chloro-7-methylquinolin-2-yl)amino)cyclohexyl)methyl)Show More⌵
Mol. Formula:
C26H29ClF2N6O2
M.W.:
531.01
Type:
---
AlogP:
4.68
Polar Surface Area:
101.06
HBA:
7
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
ALA5196210 Name:
7-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methyl-4-piperidyl)quinolin-4Show More⌵
Mol. Formula:
C22H33N5O
M.W.:
383.54
Type:
---
AlogP:
2.89
Polar Surface Area:
43.87
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.88
DETAILS
CLOSE
ALA5208822 Name:
5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethyl-amino]-N-[[5-[2-(dimethylamShow More⌵
Mol. Formula:
C30H45ClN6O2
M.W.:
557.18
Type:
---
AlogP:
3.64
Polar Surface Area:
72.85
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA5208744 Name:
3-[ethyl(tetrahydropyran-4-yl)amino]-N-[(5-fluoro-1-methyl-3-oxo-2,4-dihydrShow More⌵
Mol. Formula:
C37H45FN4O4
M.W.:
628.79
Type:
---
AlogP:
5.34
Polar Surface Area:
83.14
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
9
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA5208386 Name:
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(2,4-dimethylpyrazol-3-yl)Show More⌵
Mol. Formula:
C26H29N7O2
M.W.:
471.57
Type:
---
AlogP:
3.44
Polar Surface Area:
117.59
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA5207948 Name:
3-[(4,4-difluorocyclohexyl)-ethyl-amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyShow More⌵
Mol. Formula:
C33H46F2N4O4
M.W.:
600.75
Type:
---
AlogP:
5.73
Polar Surface Area:
86.90
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
10
Passes Ro3:
N
QED Weighted:
0.36
DETAILS
CLOSE
ALA5206842 Name:
5-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-[(1R)-1-[4-(3-methoxyazetiShow More⌵
Mol. Formula:
C29H41N3O3S
M.W.:
511.73
Type:
---
AlogP:
4.94
Polar Surface Area:
65.64
HBA:
5
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA5206741 Name:
4'-(4-(2-((6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]trShow More⌵
Mol. Formula:
C52H59ClN8O5S
M.W.:
943.61
Type:
---
AlogP:
9.38
Polar Surface Area:
155.83
HBA:
11
HBD:
3
#RO5 Violations:
3
#Rotatable Bonds:
16
Passes Ro3:
N
QED Weighted:
0.08
DETAILS
CLOSE
ALA5206590 Name:
N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(1H-pyrazolShow More⌵
Mol. Formula:
C29H34F3N7O3
M.W.:
585.63
Type:
---
AlogP:
3.81
Polar Surface Area:
110.76
HBA:
7
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.29
DETAILS
CLOSE
ALA5206526 Name:
7-chloro-N-[(4-chloro-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-[4-[3-(cycloShow More⌵
Mol. Formula:
C29H35Cl2N3O5
M.W.:
576.52
Type:
---
AlogP:
5.14
Polar Surface Area:
92.89
HBA:
6
HBD:
2
#RO5 Violations:
2
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA5206126 Name:
N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(1-tetrahydShow More⌵
Mol. Formula:
C25H31N3O4
M.W.:
437.54
Type:
---
AlogP:
3.87
Polar Surface Area:
85.35
HBA:
5
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.61
DETAILS
CLOSE
ALA5205802 Name:
Mol. Formula:
C25H30ClN3O3
M.W.:
455.99
Type:
---
AlogP:
3.96
Polar Surface Area:
97.21
HBA:
4
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.60
DETAILS
CLOSE
ALA5205712 Name:
10-chloro-9-(3,5-dimethylisoxazol-4-yl)-2-((4-methoxy-6-methyl-2-oxo-1,2-diShow More⌵
Mol. Formula:
C24H23ClN4O4
M.W.:
466.93
Type:
---
AlogP:
4.23
Polar Surface Area:
93.36
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.49
DETAILS
CLOSE
ALA5205079 Name:
N-[(4-isopropoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2,8-dimethyl-4-[6-(Show More⌵
Mol. Formula:
C32H38N6O3
M.W.:
554.70
Type:
---
AlogP:
4.38
Polar Surface Area:
103.45
HBA:
7
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
ALA5204916 Name:
2-(2-((((1r,4r)-4-((8-chloro-7-methylquinolin-2-yl)amino)cyclohexyl)methyl)Show More⌵
Mol. Formula:
C27H30ClN7O2
M.W.:
520.04
Type:
---
AlogP:
4.19
Polar Surface Area:
124.85
HBA:
8
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA5204709 Name:
N-[dideuterio-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyridin-3-yl)methyl]-1-[(Show More⌵
Mol. Formula:
C27H35N3O3S
M.W.:
483.67
Type:
---
AlogP:
5.36
Polar Surface Area:
76.12
HBA:
5
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
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