compound 26a [PMID: 16242323]

Ligand id: 6732

Name: compound 26a [PMID: 16242323]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 15
Topological polar surface area 109.58
Molecular weight 611.38
XLogP 10.04
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 6.3 pIC50 - 1
pIC50 6.3 (IC50 4.52x10-7 M) [1]