otenabant

Ligand id: 9232

Name: otenabant

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 101.96
Molecular weight 509.15
XLogP 4.31
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-ethylaminopiperidine-4-carboxamide
International Nonproprietary Names
INN number INN
9009 otenabant
Synonyms
CP-945,598 | CP-945598
Database Links
CAS Registry No. 686344-29-6 (source: WHO INN record)
ChEMBL Ligand CHEMBL562668
PubChem CID 10052040
Search Google for chemical match using the InChIKey UNAZAADNBYXMIV-UHFFFAOYSA-N
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Search UniChem for chemical match using the InChIKey UNAZAADNBYXMIV-UHFFFAOYSA-N
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Comments
Otenabant is a selective cannabinoid CB1 receptor antagonist, which was investigated in clinical trials (as the hydrochloride salt - PubChem CID 16223963) for its potential anorectic action in the treatment of obesity.