Ligand id: 9570

Name: C391

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 15
Hydrogen bond donors 6
Rotatable bonds 22
Topological polar surface area 244.92
Molecular weight 767.39
XLogP 0.01
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

Immunopharmacology Comments
PAR2 is activated in inflammatory diseases [2] (e.g. arthritis [3]), hence the development of drug-like PAR2-selective antagonists could provide novel therapeutics for these indications [4].