Compounds

ALA3775160

Name:
3-((1S,3R)-3-(4-(6-methoxypyridin-2-yl)-1H-imidazol-2-yl)-1-(1-methyl-1H-pyShow More⌵

Mol. Formula:
C27H25N9O2

M.W.:
507.56

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.57

Polar Surface Area:
135.36

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA3774684

Name:
3-((1R,3R)-3-(4-(6-methoxypyridin-2-yl)-1H-imidazol-2-yl)-1-(1-methyl-1H-pyShow More⌵

Mol. Formula:
C27H25N9O2

M.W.:
507.56

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.57

Polar Surface Area:
135.36

HBA:
9

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
5

Passes Ro3:
N

QED Weighted:
0.32

DETAILS

ALA3775061

Name:
3-((1S,3R)-3-(4-(5-fluoropyridin-2-yl)-1H-imidazol-2-yl)-1-(1-methyl-1H-pyrShow More⌵

Mol. Formula:
C26H22FN9O

M.W.:
495.52

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.70

Polar Surface Area:
126.13

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.34

DETAILS

ALA3774800

Name:
5-methyl-3-((1S,3R)-1-(1-methyl-1H-pyrazol-4-yl)-3-(4-(pyridin-2-yl)-1H-imiShow More⌵

Mol. Formula:
C26H23N9O

M.W.:
477.53

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.56

Polar Surface Area:
126.13

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA3775760

Name:
5-methyl-3-((1R,3R)-1-(1-methyl-1H-pyrazol-4-yl)-3-(4-(pyridin-2-yl)-1H-imiShow More⌵

Mol. Formula:
C26H23N9O

M.W.:
477.53

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.56

Polar Surface Area:
126.13

HBA:
8

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA3775630

Name:
5-methyl-3-((1S,3R)-1-(1-methyl-1H-pyrazol-4-yl)-3-(4-phenyl-1H-imidazol-2-Show More⌵

Mol. Formula:
C27H24N8O

M.W.:
476.54

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.16

Polar Surface Area:
113.24

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA3775042

Name:
5-methyl-3-((1R,3R)-1-(1-methyl-1H-pyrazol-4-yl)-3-(4-phenyl-1H-imidazol-2-Show More⌵

Mol. Formula:
C27H24N8O

M.W.:
476.54

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.16

Polar Surface Area:
113.24

HBA:
7

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA3775387

Name:
(1R,3R)-3-(4-(6-methoxypyridin-2-yl)-1H-imidazol-2-yl)-1-(tetrahydro-2H-pyrShow More⌵

Mol. Formula:
C25H27N5O2

M.W.:
429.52

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.32

Polar Surface Area:
87.85

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
4

Passes Ro3:
N

QED Weighted:
0.45

DETAILS

ALA3774909

Name:
(1R,3R)-3-(4-(5-chloropyridin-2-yl)-1H-imidazol-2-yl)-1-(tetrahydro-2H-pyraShow More⌵

Mol. Formula:
C24H24ClN5O

M.W.:
433.94

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.96

Polar Surface Area:
78.62

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.43

DETAILS

ALA3775734

Name:
(1R,3R)-3-(4-(5-fluoropyridin-2-yl)-1H-imidazol-2-yl)-1-(tetrahydro-2H-pyraShow More⌵

Mol. Formula:
C24H24FN5O

M.W.:
417.49

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.45

Polar Surface Area:
78.62

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.46

DETAILS

ALA3775411

Name:
2-(2-((1R,3R)-1-(tetrahydro-2H-pyran-4-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4Show More⌵

Mol. Formula:
C22H23N5OS

M.W.:
405.53

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.37

Polar Surface Area:
78.62

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA3774986

Name:
4-(2-((1R,3R)-1-(tetrahydro-2H-pyran-4-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4Show More⌵

Mol. Formula:
C22H23N5OS

M.W.:
405.53

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.37

Polar Surface Area:
78.62

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.47

DETAILS

ALA3774983

Name:
(1R,3R)-3-(4-(pyrimidin-2-yl)-1H-imidazol-2-yl)-1-(tetrahydro-2H-pyran-4-ylShow More⌵

Mol. Formula:
C23H24N6O

M.W.:
400.49

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.70

Polar Surface Area:
91.51

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA3775018

Name:
(1R,3R)-3-(4-(pyrazin-2-yl)-1H-imidazol-2-yl)-1-(tetrahydro-2H-pyran-4-yl)-Show More⌵

Mol. Formula:
C23H24N6O

M.W.:
400.49

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
3.70

Polar Surface Area:
91.51

HBA:
5

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.49

DETAILS

ALA3774851

Name:
(1R,3R)-3-(4-(pyridin-3-yl)-1H-imidazol-2-yl)-1-(tetrahydro-2H-pyran-4-yl)-Show More⌵

Mol. Formula:
C24H25N5O

M.W.:
399.50

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.31

Polar Surface Area:
78.62

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA3774903

Name:
(1R,3R)-3-(4-(pyridin-4-yl)-1H-imidazol-2-yl)-1-(tetrahydro-2H-pyran-4-yl)-Show More⌵

Mol. Formula:
C24H25N5O

M.W.:
399.50

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.31

Polar Surface Area:
78.62

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA3775418

Name:
(1R,3R)-3-(4-(pyridin-2-yl)-1H-imidazol-2-yl)-1-(tetrahydro-2H-pyran-4-yl)-Show More⌵

Mol. Formula:
C24H25N5O

M.W.:
399.50

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.31

Polar Surface Area:
78.62

HBA:
4

HBD:
3

#RO5 Violations:
---

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.48

DETAILS

ALA3775643

Name:
(1R,3R)-3-(4-(1H-indol-3-yl)-1H-imidazol-2-yl)-1-(tetrahydro-2H-pyran-4-yl)Show More⌵

Mol. Formula:
C27H27N5O

M.W.:
437.55

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.39

Polar Surface Area:
81.52

HBA:
3

HBD:
4

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA3775284

Name:
(1R,3R)-3-(4-(benzo[b]thiophen-3-yl)-1H-imidazol-2-yl)-1-(tetrahydro-2H-pyrShow More⌵

Mol. Formula:
C27H26N4OS

M.W.:
454.60

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.13

Polar Surface Area:
65.73

HBA:
4

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.31

DETAILS

ALA3775055

Name:
(1R,3R)-3-(4-(4-methylthiophen-2-yl)-1H-imidazol-2-yl)-1-(tetrahydro-2H-pyrShow More⌵

Mol. Formula:
C24H26N4OS

M.W.:
418.57

4 activity values

2 unique targets

Type:
Small molecule

AlogP:
5.28

Polar Surface Area:
65.73

HBA:
4

HBD:
3

#RO5 Violations:
1

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.42

DETAILS