compound 3f [PMID: 12238936]

Ligand id: 3111

Name: compound 3f [PMID: 12238936]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 12
Topological polar surface area 134.63
Molecular weight 548.19
XLogP 1.98
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

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

Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
squalene synthase Inhibitor Inhibition 7.8 pIC50 - 1
pIC50 7.8 (IC50 1.5x10-8 M) [1]
Description: Inhibition of squalene synthase from human hepatoma cells (HepG2)
Conditions: Substrate concentrations: 5µM FPP, 1mM NADPH. pH 7.4, 37°C