compound 15 [PMID: 25411721]

Ligand id: 9078

Name: compound 15 [PMID: 25411721]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 48.99
Molecular weight 387.17
XLogP 5.3
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Immunopharmacology Comments
Compound 15 is an agonist of the bile acid receptor 1 (GPBAR1), which has been used experimentally to show that GPBAR1 plays a regulatory role in inflammation [2]