compound 7 [PMID: 8496919]

Ligand id: 3100

Name: compound 7 [PMID: 8496919]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 24.92
Molecular weight 312.26
XLogP 5.55
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 8.4 pIC50 - 1
pIC50 8.4 (IC50 4x10-9 M) [1]
Description: Tested for inhibitory activity against squalene synthetase in the presence of inorganic pyrophosphate (PPi)
Conditions: Concentration of substrate: 10mM FPP. pH 7.4, 37°C