compound 1 [PMID: 8496942]

Ligand id: 3109

Name: compound 1 [PMID: 8496942]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 15
Topological polar surface area 15.6
Molecular weight 412.38
XLogP 8.4
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
squalene synthase Inhibitor Inhibition 5.2 – 7.0 pIC50 - 1
pIC50 7.0 (IC50 1x10-7 M) [1]
Description: Inhibitory activity against squalene synthetase in the presence of inorganic pyrophosphate in rat liver microsomal assay
pIC50 5.2 (IC50 6.9x10-6 M) [1]
Description: Inhibitory activity against squalene synthetase in rat liver microsomal assay