compound 17 [Shechter et al., 1996]

Ligand id: 3061

Name: compound 17 [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 15
Topological polar surface area 65.58
Molecular weight 383.25
XLogP 7.15
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
squalene synthase Rn Inhibitor Inhibition 5.7 pIC50 - 1
pIC50 5.7 (IC50 2x10-6 M) [1]
Description: Inhibitory activity against rat hepatic squalene synthase