compound 4 [Brinkman et al., 1996]

Ligand id: 3097

Name: compound 4 [Brinkman et al., 1996]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 30.49
Molecular weight 361.2
XLogP 5.34
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 Value Parameter Concentration range (M) Reference
squalene synthase Rn Inhibitor Inhibition 8.0 pIC50 - 1
pIC50 8.0 (IC50 1x10-8 M) [1]
Description: Compound was tested for inhibitory activity against squalene synthase using rat liver microsomal assay
Conditions: Substrate concentration: 10µM FPP. pH 7.4, 37°C