compound 70 [PMID: 26161824]

Ligand id: 8706

Name: compound 70 [PMID: 26161824]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 103.41
Molecular weight 523.12
XLogP 3.47
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-[4-(4-cyanobut-1-yn-1-yl)phenyl]-1-(2,4-dichlorophenyl)-4-(hydroxymethyl)-N-(morpholin-4-yl)-1H-pyrazole-3-carboxamide
Comments
Compound 70 is a potent, peripherally acting, selective antagonist of the cannabinoid CB1 receptor, with much reduced adverse CNS effects than rimonabant.
Database Links
GtoPdb PubChem SID 252166906
PubChem CID 46894021
Search Google for chemical match using the InChIKey VQXIVPLXEIZJTH-UHFFFAOYSA-N
Search Google for chemicals with the same backbone VQXIVPLXEIZJTH
Search UniChem for chemical match using the InChIKey VQXIVPLXEIZJTH-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone VQXIVPLXEIZJTH