compound 12 [Wattanasin et al.,1997]

Ligand id: 3130

Name: compound 12 [Wattanasin et al.,1997]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 12
Topological polar surface area 101.93
Molecular weight 403.22
XLogP 3.2
No. Lipinski's rules broken 1

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 6.6 – 6.8 pIC50 - 1
pIC50 6.8 (IC50 1.7x10-7 M) [1]
Description: The compound was tested for inhibition of purified rat hepatic squalene synthase in the presence of 1.2 mM NADPH and 1.0 mM inorganic pyrophosphate. In vitro assay.
pIC50 6.6 (IC50 2.3x10-7 M) [1]
Description: Inhibitory activity against squalene synthase using rat liver microsomal assay