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Compound Detail

CHEMBL258969

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Cc1cccc(C(C)C)c1Nc1ccccc1CC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL258969
Phase Preclinical
Structure Type MOL
InChI Key GMJRBMWEVFPLBS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

283.4
MW (Da)
4.49
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.85
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21NO2
MW 283.37
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.74

Literature References

PubMed DOI Target Context # Activities
17434872 10.1074/jbc.m609883200 Prostaglandin G/H synthase 2 2
17434872 10.1074/jbc.m609883200 Prostaglandin G/H synthase 1 1

Data from ChEMBL 36 via Core Engine