Ligand id: 437

Name: AS101

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 11
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 137.4
Molecular weight 524.23
XLogP 1.61
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Immunopharmacology Comments
AS101's anti-inflammatory activity is likely mediated via its inhibition of caspase 1 (a.k.a. IL-1β converting enzyme).