Compounds

Select all

ALA4585148
Name:
4-((4-(Cyclopentyloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino)-3-methoxy-N,NShow More⌵
Mol. Formula:
C21H25N5O3
M.W.:
395.46
2 activity values
2 unique targets
Type:
Unknown
AlogP:
3.73
Polar Surface Area:
92.37
HBA:
6
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.66
DETAILS
CLOSE
ALA4560226
Name:
(S)-(4-((4-((2,2-Dimethyltetrahydro-2H-pyran-4-yl)oxy)-7H-pyrrolo[2,3-d]pyrShow More⌵
Mol. Formula:
C25H31N5O5
M.W.:
481.55
2 activity values
2 unique targets
Type:
Unknown
AlogP:
3.52
Polar Surface Area:
110.83
HBA:
8
HBD:
2
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA4447336
Name:
3-Ethoxy-4-((4-(((1s,4s)-4-hydroxy-4-methylcyclohexyl)oxy)-7H-pyrrolo[2,3-dShow More⌵
Mol. Formula:
C24H31N5O4
M.W.:
453.54
2 activity values
2 unique targets
Type:
Unknown
AlogP:
3.87
Polar Surface Area:
112.60
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.50
DETAILS
CLOSE
ALA4091309
Name:
N4-(2-(Isopropylsulfonyl)phenyl)-N2-(2-methoxy-4-morpholinophenyl)-7H-pyrroShow More⌵
Mol. Formula:
C26H30N6O4S
M.W.:
522.63
16 activity values
16 unique targets
Type:
Small molecule
AlogP:
4.47
Polar Surface Area:
121.47
HBA:
9
HBD:
3
#RO5 Violations:
1
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.31
DETAILS
CLOSE
ALA4076767
Name:
N4-Cyclohexyl-N2-(2-methoxy-4-morpholinophenyl)-7Hpyrrolo[2,3-d]pyrimidine-Show More⌵
Mol. Formula:
C23H30N6O2
M.W.:
422.53
38 activity values
23 unique targets
Type:
Small molecule
AlogP:
4.29
Polar Surface Area:
87.33
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
6
Passes Ro3:
N
QED Weighted:
0.55
DETAILS
CLOSE
ALA4061742
Name:
N4-(2-(isopropylsulfonyl)phenyl)-N2-(2-methoxyphenyl)-7Hpyrrolo-[2,3-d]pyriShow More⌵
Mol. Formula:
C22H23N5O3S
M.W.:
437.53
16 activity values
16 unique targets
Type:
Small molecule
AlogP:
4.64
Polar Surface Area:
109.00
HBA:
7
HBD:
3
#RO5 Violations:
---
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.39
DETAILS
CLOSE
MPS1-IN-1
Name:
1-(4-(4-(2-(isopropylsulfonyl)phenylamino)-1H-pyrrolo[2,3-b]pyridin-6-ylamiShow More⌵
Mol. Formula:
C28H33N5O4S
M.W.:
535.67
90 activity values
48 unique targets
Type:
Small molecule
AlogP:
5.20
Polar Surface Area:
119.58
HBA:
8
HBD:
4
#RO5 Violations:
2
#Rotatable Bonds:
8
Passes Ro3:
N
QED Weighted:
0.24
DETAILS
CLOSE