otenabant   Click here for help

GtoPdb Ligand ID: 9232

Synonyms: CP-945,598 | CP-945598
Compound class: Synthetic organic
Comment: 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.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 101.44
Molecular weight 509.15
XLogP 4.86
No. Lipinski's rules broken 0
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Canonical SMILES CCNC1(CCN(CC1)c1ncnc2c1nc(n2c1ccc(cc1)Cl)c1ccccc1Cl)C(=O)N
Isomeric SMILES CCNC1(CCN(CC1)c1ncnc2c1nc(n2c1ccc(cc1)Cl)c1ccccc1Cl)C(=O)N
InChI InChI=1S/C25H25Cl2N7O/c1-2-31-25(24(28)35)11-13-33(14-12-25)22-20-23(30-15-29-22)34(17-9-7-16(26)8-10-17)21(32-20)18-5-3-4-6-19(18)27/h3-10,15,31H,2,11-14H2,1H3,(H2,28,35)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
9009 otenabant
Synonyms Click here for help
CP-945,598 | CP-945598
Database Links Click here for help
Specialist databases
GPCRdb Ligand otenabant
Other databases
CAS Registry No. 686344-29-6 (source: WHO INN record)
ChEMBL Ligand CHEMBL562668
GtoPdb PubChem SID 315661307
PubChem CID 10052040
Search Google for chemical match using the InChIKey UNAZAADNBYXMIV-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey UNAZAADNBYXMIV-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey UNAZAADNBYXMIV-UHFFFAOYSA-N