compound 16 [PMID: 16242323]

Ligand id: 6726

Name: compound 16 [PMID: 16242323]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 11
Topological polar surface area 95.59
Molecular weight 565.28
XLogP 6.92
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 rat enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
acetyl-CoA acetyltransferase 1 Inhibitor Inhibition 8.3 pIC50 - 1
pIC50 8.3 (IC50 5.4x10-9 M) [1]