surinabant

Ligand id: 9233

Name: surinabant

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 50.16
Molecular weight 520.04
XLogP 6.25
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-ethyl-N-piperidin-1-ylpyrazole-3-carboxamide
International Nonproprietary Names
INN number INN
8640 surinabant
Synonyms
SR-147778
Database Links
BindingDB Ligand 50171290
CAS Registry No. 288104-79-0 (source: WHO INN record)
ChEMBL Ligand CHEMBL189676
PubChem CID 9849616
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Comments
Surinabant is a selective, orally active cannabinoid CB1 receptor antagonist [3], investigated for potential use as an aid to smoking cessation. CB1 receptor antagonists may have clinical potential in other addictions (e.g. alcoholism [2]) or conditions such as attention deficit hyperactivity disorder (ADHD) [1].