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Compound Detail

CHEMBL330200

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COc1ccc2c(c1)c(CC(=O)Oc1ccc3ccccc3c1)c(C)n2C(=O)c1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL330200
Phase Preclinical
Structure Type MOL
InChI Key ILPCJHWABGATRT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

483.9
MW (Da)
6.60
ALogP
5
HBA
0
HBD
57.5
PSA (Ų)
0.21
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H22ClNO4
MW 483.95
Aromatic Rings 5
Heavy Atoms 35
NP-Likeness -0.72

Literature References

PubMed DOI Target Context # Activities
10956194 10.1021/jm000004e Prostaglandin G/H synthase 2 1
10956194 10.1021/jm000004e Prostaglandin G/H synthase 1 1

Data from ChEMBL 36 via Core Engine