Ligand id: 2643

Name: BMS614

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 79.29
Molecular weight 448.18
XLogP 8.42
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Selectivity at nuclear hormone receptors
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
Retinoic acid receptor-α Hs Antagonist Antagonist 8.7 pIC50 - 1-3
pIC50 8.7 [1-3]