compound III [PMID: 24080463]

Ligand id: 8825

Name: compound III [PMID: 24080463]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 29
Topological polar surface area 49.88
Molecular weight 670.54
XLogP 8.06
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

Selectivity at human other protein targets
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
baculoviral IAP repeat containing 5 Inhibitor Inhibition 4.6 pIC50 - 1
pIC50 4.6 (IC50 2.5x10-5 M) [1]