compound 3f [PMID: 7966163]

Ligand id: 3116

Name: compound 3f [PMID: 7966163]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 14
Hydrogen bond donors 5
Rotatable bonds 26
Topological polar surface area 232.65
Molecular weight 798.35
XLogP 8.4
No. Lipinski's rules broken 3

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 9.9 pIC50 - 1
pIC50 9.9 (IC50 1.3x10-10 M) [1]
Description: Tested for inhibition against squalene synthase enzyme in rat liver
Conditions: Substrate concentration: 5µM FPP