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Compound Detail

CHEMBL97130

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COc1ccc2c(c1)c(CC(=O)NCCc1ccccc1)cn2C(=O)c1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL97130
Phase Preclinical
Structure Type MOL
InChI Key ZBYUYLIDYADMNZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

446.9
MW (Da)
4.89
ALogP
4
HBA
1
HBD
60.3
PSA (Ų)
0.44
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H23ClN2O3
MW 446.93
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.10

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