compound 2e [PMID: 7629799]

Ligand id: 3064

Name: compound 2e [PMID: 7629799]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 11
Topological polar surface area 134.68
Molecular weight 368.15
XLogP 2.34
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 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 8.6 pIC50 - 1
pIC50 8.6 (IC50 2.5x10-9 M) [1]
Description: Inhibition rat liver microsomal squalene synthase