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Compound Detail

CHEMBL1575622

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O=C1c2ccccc2C(=O)N1OCc1cccc(Cl)c1

Basic Information

ChEMBL ID CHEMBL1575622
Phase Preclinical
Structure Type MOL
InChI Key MESQAGATDOBCOC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

287.7
MW (Da)
3.07
ALogP
3
HBA
0
HBD
46.6
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H10ClNO3
MW 287.70
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.93

Activity Summary

IC50 1 meas. best 5.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 5.68 5.68 2090.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 2090.0 nM 5.68 PubChem BioAssay. Dose Response confirmation of small molecule inhibitors origin... -

Data from ChEMBL 36 via Core Engine