General
Preferred name
(S)-6-Desmethyl Naproxen
Synonyms
(S)-6-O-Desmethylnaproxen ()
(S)-O-Desmethyl Naproxen ()
P&D ID
PD150737
CAS
52079-10-4
60756-73-2
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION (S)-6-O-Desmethylnaproxen ((S)-6-Desmethyl Naproxen) is a metabolite of the non-steroidal anti-inflammatory drug (NSAID) and COX inhibitor (+)-naproxen ((S)-naproxen). (S)-6-O-Desmethylnaproxen is formed from (S)-naproxen by the cytochrome P450 (CYP) isoforms CYP1A2 and CYP2C9.
Compound Sets
2
Cayman Chemical Bioactives
MedChem Express Bioactive Compound Library
External IDs
29
Properties
(calculated by RDKit )
Molecular Weight
216.08
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
2
Ring Count
2
Aromatic Ring Count
2
cLogP
2.73
TPSA
57.53
Fraction CSP3
0.15
Chiral centers
1.0
Largest ring
6.0
QED
0.81
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
COX
Pathway
Immunology/Inflammation
Source data