compound 18a [PMID: 16242323]

Ligand id: 6727

Name: compound 18a [PMID: 16242323]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 12
Topological polar surface area 109.58
Molecular weight 591.3
XLogP 8.07
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 6.4 pIC50 - 1
pIC50 6.4 (IC50 3.82x10-7 M) [1]