compound 14 [PMID: 9871507]

Ligand id: 3106

Name: compound 14 [PMID: 9871507]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 3
Rotatable bonds 20
Topological polar surface area 170.98
Molecular weight 750.32
XLogP 7.49
No. Lipinski's rules broken 2

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 6.6 pIC50 - 1
pIC50 6.6 (IC50 2.4x10-7 M) [1]
Description: Compound was tested for inhibition of squalene synthase from rat liver microsomes using [3H]-Farnesyl pyrophosphate (FPP) as substrate
Conditions: pH 7.4