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Epoxide hydrolase 1
Target Relations
ALA ID | Relationship | Pref Name | Target Type |
---|
ALA4523609 | SUBSET OF | Epoxide hydrolase 1/Bifunctional epoxide hydrolase 2 | PROTEIN FAMILY |
Target Components
Description | Relationship | Accession |
Epoxide hydrolase 1 | PROTEIN | P07099 |
Associated Recombinant Proteins
Associated Active Ligands
ALA297630Name:
7-Oxa-bicyclo[4.1.0]hepta-2,4-diene
Mol. Formula:
C6H6O
M.W.:
94.11
Type:
Small molecule
AlogP:
0.88
Polar Surface Area:
12.53
HBA:
1
HBD:
0
#RO5 Violations:
0
#Rotatable Bonds:
0
Passes Ro3:
Y
QED Weighted:
0.41
DETAILS
CLOSE
ALA1231797Name:
US8815951, 53
Mol. Formula:
C13H17IN2O
M.W.:
344.20
Type:
Small molecule
AlogP:
3.75
Polar Surface Area:
41.13
HBA:
1
HBD:
2
#RO5 Violations:
0
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.79
DETAILS
CLOSE
ALA2236325Name:
N-(2-methoxy-4-nitrophenylcarbamothioyl)benzamide
Mol. Formula:
C15H13N3O4S
M.W.:
331.35
Type:
Small molecule
AlogP:
2.73
Polar Surface Area:
93.50
HBA:
5
HBD:
2
#RO5 Violations:
0
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.51
DETAILS
CLOSE
ALA2236326Name:
N-(2-methoxy-4-methylphenylcarbamothioyl)benzamide
Mol. Formula:
C16H16N2O2S
M.W.:
300.38
Type:
Small molecule
AlogP:
3.13
Polar Surface Area:
50.36
HBA:
3
HBD:
2
#RO5 Violations:
0
#Rotatable Bonds:
3
Passes Ro3:
N
QED Weighted:
0.86
DETAILS
CLOSE
ALA2236327Name:
N-(4-phenoxyphenylcarbamothioyl)benzamide
Mol. Formula:
C20H16N2O2S
M.W.:
348.43
Type:
Small molecule
AlogP:
4.61
Polar Surface Area:
50.36
HBA:
3
HBD:
2
#RO5 Violations:
0
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA2236328Name:
N-(tert-butylcarbamothioyl)benzamide
Mol. Formula:
C12H16N2OS
M.W.:
236.34
Type:
Small molecule
AlogP:
2.09
Polar Surface Area:
41.13
HBA:
2
HBD:
2
#RO5 Violations:
0
#Rotatable Bonds:
1
Passes Ro3:
Y
QED Weighted:
0.73
DETAILS
CLOSE
ALA2236329Name:
N-(pyridin-4-ylcarbamothioyl)benzamide
Mol. Formula:
C13H11N3OS
M.W.:
257.32
Type:
Small molecule
AlogP:
2.21
Polar Surface Area:
54.02
HBA:
3
HBD:
2
#RO5 Violations:
0
#Rotatable Bonds:
2
Passes Ro3:
Y
QED Weighted:
0.81
DETAILS
CLOSE
ALA2236330Name:
N-(4-bromonaphthalen-1-ylcarbamothioyl)benzamide
Mol. Formula:
C18H13BrN2OS
M.W.:
385.29
Type:
Small molecule
AlogP:
4.73
Polar Surface Area:
41.13
HBA:
2
HBD:
2
#RO5 Violations:
0
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.63
DETAILS
CLOSE
ALA2236331Name:
N-Benzoyl-N'-adamantyl thiourea
Mol. Formula:
C18H22N2OS
M.W.:
314.45
Type:
Small molecule
AlogP:
3.26
Polar Surface Area:
41.13
HBA:
2
HBD:
2
#RO5 Violations:
0
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.82
DETAILS
CLOSE
ALA2236332Name:
N-(phenylcarbamothioyl)acetamide
Mol. Formula:
C9H10N2OS
M.W.:
194.26
Type:
Small molecule
AlogP:
1.52
Polar Surface Area:
41.13
HBA:
2
HBD:
2
#RO5 Violations:
0
#Rotatable Bonds:
1
Passes Ro3:
Y
QED Weighted:
0.67
DETAILS
CLOSE