Ligand id: 9279

Name: asimadoline

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 43.78
Molecular weight 414.23
XLogP 8.49
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Immunopharmacology Comments
Asimadoline has demonstrated efficacy in several preclinical pruritus models, and has been investigated as a therapy for irritable bowel syndrome.