compound 20 [Shechter et al., 1996]

Ligand id: 3062

Name: compound 20 [Shechter et al., 1996]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 12
Topological polar surface area 65.58
Molecular weight 403.22
XLogP 8.1
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 5.3 pIC50 - 1
pIC50 5.3 (IC50 5x10-6 M) [1]
Description: Inhibitory activity against rat hepatic squalene synthase