taranabant

Ligand id: 9231

Name: taranabant

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 75.01
Molecular weight 515.16
XLogP 8.06
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[(2S,3S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-2-methyl-2-[5-(trifluoromethyl)pyridin-2-yl]oxypropanamide
International Nonproprietary Names
INN number INN
8848 taranabant
Synonyms
MK 0364
MK-0364
Database Links
BindingDB Ligand 50200841
CAS Registry No. 701977-09-5 (source: WHO INN record)
ChEMBL Ligand CHEMBL220360
PubChem CID 11226090
RCSB PDB Ligand 7DY
Search Google for chemical match using the InChIKey QLYKJCMUNUWAGO-GAJHUEQPSA-N
Search Google for chemicals with the same backbone QLYKJCMUNUWAGO
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Comments
Taranabant is a cannabinoid CB1 receptor antagonist/inverse agonist [2-3], with anorectic action. It was investigated for its potential as a novel weight management therapeutic in obese and overweight patients.