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ALA5268404 Name:
N-(3-(2-(difluoromethoxy)-5-(methylthio)phenyl)-1H-pyrazol-4-yl)imidazo[1,2Show More⌵
Mol. Formula:
C18H14F2N6O2S
M.W.:
416.41
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
3.70
Polar Surface Area:
97.20
HBA:
7
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA5279956 Name:
6-(5-(11-((S)-1-((2S,4R)-4-hydroxy-2-(4-(4-methylthiazol-5-yl)benzylcarbamoShow More⌵
Mol. Formula:
C55H71N11O8S
M.W.:
1046.31
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$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
ALA5275760 Name:
6-(5-(6-((S)-1-((2S,4R)-4-hydroxy-2-(4-(4-methylthiazol-5-yl)benzylcarbamoyShow More⌵
Mol. Formula:
C50H61N11O8S
M.W.:
976.17
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
5.22
Polar Surface Area:
258.00
HBA:
14
HBD:
8
#RO5 Violations:
4
#Rotatable Bonds:
20
Passes Ro3:
N
QED Weighted:
0.05
DETAILS
CLOSE
ALA5286224 Name:
6-(5-(9-((S)-1-((2S,4R)-4-hydroxy-2-(4-(4-methylthiazol-5-yl)benzylcarbamoyShow More⌵
Mol. Formula:
C53H67N11O8S
M.W.:
1018.25
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$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
ALA5285673 Name:
8-(((3S,4S)-1-(5-cyanopyridin-2-yl)-4-ethylpyrrolidin-3-yl)amino)-2-(1-methShow More⌵
Mol. Formula:
C23H24N10O
M.W.:
456.51
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
1.82
Polar Surface Area:
143.05
HBA:
10
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.45
DETAILS
CLOSE
ALA5285638 Name:
6-(5-(12-((S)-1-((2S,4R)-4-hydroxy-2-(4-(4-methylthiazol-5-yl)benzylcarbamoShow More⌵
Mol. Formula:
C56H73N11O8S
M.W.:
1060.34
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$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
ALA5290317 Name:
6-(5-(8-((S)-1-((2S,4R)-4-hydroxy-2-(4-(4-methylthiazol-5-yl)benzylcarbamoyShow More⌵
Mol. Formula:
C52H65N11O8S
M.W.:
1004.23
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$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
ALA5277592 Name:
6-(5-carbamoyl-4-(2-methoxy-3-(methylcarbamoyl)phenylamino)pyridin-2-ylaminShow More⌵
Mol. Formula:
C53H67N11O8S
M.W.:
1018.25
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$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
ALA5196293 Name:
4-(5-methyl-1-(4-(methylsulfonyl)benzyl)-1H-1,2,3-triazol-4-yl)-7H-pyrrolo[Show More⌵
Mol. Formula:
C17H16N6O2S
M.W.:
368.42
Type:
---
AlogP:
1.98
Polar Surface Area:
106.42
HBA:
7
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA5196144 Name:
2-(2-Methyl-1-(1-methylpiperidin-4-yl)-1H-imidazo[4,5-c]quinolin-8-yl)phenoShow More⌵
Mol. Formula:
C23H24N4O
M.W.:
372.47
Type:
---
AlogP:
4.53
Polar Surface Area:
54.18
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.56
DETAILS
CLOSE
ALA5196106 Name:
N-(5-(2-(cyanomethyl)-2-azaspiro[3.5]nonan-7-yl)-[1,2,4]triazolo[1,5-a]pyriShow More⌵
Mol. Formula:
C20H24N6O
M.W.:
364.45
Type:
---
AlogP:
2.56
Polar Surface Area:
86.32
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.84
DETAILS
CLOSE
ALA5266008 Name:
6-(5-(4-((S)-1-((2S,4R)-4-hydroxy-2-(4-(4-methylthiazol-5-yl)benzylcarbamoyShow More⌵
Mol. Formula:
C48H57N11O8S
M.W.:
948.12
/*= $chembl['x_filter_bioactivities']*/?>/*= __("activity values")*/?>
/*=$chembl['x_filter_target_num']*/?>/*= __("unique targets")*/?>
Type:
---
AlogP:
4.44
Polar Surface Area:
258.00
HBA:
14
HBD:
8
#RO5 Violations:
3
#Rotatable Bonds:
18
Passes Ro3:
N
QED Weighted:
0.06
DETAILS
CLOSE
ALA5209311 Name:
4-(5-methyl-1-(4-methylbenzyl)-1H-1,2,3-triazol-4-yl)-7H-pyrrolo[2,3-d]pyriShow More⌵
Mol. Formula:
C17H16N6
M.W.:
304.36
Type:
---
AlogP:
2.88
Polar Surface Area:
72.28
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA5209082 Name:
1-[1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-3-piperidyl]pyrrolidin-Show More⌵
Mol. Formula:
C16H22N6O
M.W.:
314.39
Type:
---
AlogP:
1.40
Polar Surface Area:
68.36
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.93
DETAILS
CLOSE
ALA5208298 Name:
4-(2-((4-(4-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)piperidin-1-yl)phenyl)amiShow More⌵
Mol. Formula:
C29H31N7O2
M.W.:
509.61
Type:
---
AlogP:
3.58
Polar Surface Area:
106.41
HBA:
8
HBD:
2
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.47
DETAILS
CLOSE
ALA5208163 Name:
4-(5-methyl-1-(3-(trifluoromethoxy)benzyl)-1H-1,2,3-triazol-4-yl)-7H-pyrrolShow More⌵
Mol. Formula:
C17H13F3N6O
M.W.:
374.33
Type:
---
AlogP:
3.47
Polar Surface Area:
81.51
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.59
DETAILS
CLOSE
ALA5207394 Name:
3-Fluoro-4-(2-methyl-1-(1-methylpiperidin-4-yl)-1H-imidazo-[4,5-c]quinolin-Show More⌵
Mol. Formula:
C23H23FN4O
M.W.:
390.46
Type:
---
AlogP:
4.67
Polar Surface Area:
54.18
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.54
DETAILS
CLOSE
ALA5207354 Name:
N-(5-((5-chloro-4-(((3R,3aR,6R,6aR)-6-hydroxyhexahydrofuro[3,2-b]furan-3-ylShow More⌵
Mol. Formula:
C29H37ClN6O5
M.W.:
585.11
Type:
---
AlogP:
3.22
Polar Surface Area:
121.31
HBA:
10
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA5206970 Name:
N-(5-(2-(2-cyanoethyl)-2-azaspiro[3.5]nonan-7-yl)-[1,2,4]triazolo[1,5-a]pyrShow More⌵
Mol. Formula:
C21H26N6O
M.W.:
378.48
Type:
---
AlogP:
2.95
Polar Surface Area:
86.32
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.86
DETAILS
CLOSE
ALA5206618 Name:
N-(2-cyanoethyl)-1-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidineShow More⌵
Mol. Formula:
C16H21N7O
M.W.:
327.39
Type:
---
AlogP:
1.05
Polar Surface Area:
100.94
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.80
DETAILS
CLOSE
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