Ligand id: 9035

Name: belnacasan

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 3
Rotatable bonds 11
Topological polar surface area 140.06
Molecular weight 508.21
XLogP 1.66
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Immunopharmacology Comments
Inhibition of caspase-1 is an attractive mechanism for the development of novel therapeutics for the treatment of inflammatory diseases [1]. Caspase-1 inhibitors decrease conversion of pro-IL-1β to active and pro-inflammatory IL-1β.