compound 4q [PMID: 7650673]

Ligand id: 3108

Name: compound 4q [PMID: 7650673]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 9
Topological polar surface area 36.26
Molecular weight 444.26
XLogP 7.84
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 Hs Inhibitor Inhibition 7.2 pIC50 - 1
pIC50 7.2 (IC50 6x10-8 M) [1]
Description: In vitro ability to inhibit cholesterol biosynthesis in HepG2 cells in culture from [14C]-mevalonate.
Conditions: IC50 calculated from % cholesterol inhibition