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Compound Detail

CHEMBL2171263

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CNC(=O)n1c2ccc(Cl)cc2c2ccc(C(C)C(=O)O)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2171263
Phase Preclinical
Structure Type MOL
InChI Key OBIQZTVPDHHSIT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

330.8
MW (Da)
3.82
ALogP
3
HBA
2
HBD
71.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15ClN2O3
MW 330.77
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.49

Literature References

PubMed DOI Target Context # Activities
23043222 10.1021/jm3011146 Prostaglandin G/H synthase 2 1
23043222 10.1021/jm3011146 Prostaglandin G/H synthase 1 1
23043222 10.1021/jm3011146 Fatty-acid amide hydrolase 1 1

Data from ChEMBL 36 via Core Engine