compound 4g [PMID: 17709461]

Ligand id: 3077

Name: compound 4g [PMID: 17709461]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 49.77
Molecular weight 313.17
XLogP 3.47
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
squalene synthase Inhibitor Inhibition 6.2 pIC50 - 1
pIC50 6.2 (IC50 6.6x10-7 M) [1]
Description: Inhibition of human recombinant squalene synthase expressed in Escherichia coli BL21(DE3 pLysS) by liquid scintillation counter
Conditions: Substrate concentration: 0.5µM FPP, 0.25mM NADPH. pH 7.4, 37°C