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Compound Detail

CHEMBL4440023

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O=C(O)CCCc1nc(-c2ccc(Cl)c(Cl)c2)c(-c2cccc(Cl)c2)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4440023
Phase Preclinical
Structure Type MOL
InChI Key ZNXRFBNLQHQYOE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

410.7
MW (Da)
6.38
ALogP
3
HBA
1
HBD
63.3
PSA (Ų)
0.51
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H14Cl3NO3
MW 410.68
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.88

Activity Summary

IC50 1 meas. best 6.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.64 6.64 230.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 230.0 nM 6.64 Inhibition of hexa-His-tagged human soluble epoxide hydrolase N-terminal phospha... 31436984

Literature References

PubMed DOI Target Context # Activities
31436984 10.1021/acs.jmedchem.9b00445 Unchecked 1

Data from ChEMBL 36 via Core Engine