compound 18b [PMID: 16242323]

Ligand id: 6728

Name: compound 18b [PMID: 16242323]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 13
Topological polar surface area 86.8
Molecular weight 619.33
XLogP 8.7
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

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

Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
acetyl-CoA acetyltransferase 1 Rn Inhibitor Inhibition 6.2 pIC50 - 1
pIC50 6.2 (IC50 6.8x10-7 M) [1]