compound 20 [PMID: 7473541]

Ligand id: 3114

Name: compound 20 [PMID: 7473541]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 12
Topological polar surface area 30.49
Molecular weight 305.24
XLogP 5
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 9.2 pIC50 - 1
pIC50 9.2 (IC50 6x10-10 M) [1]
Description: Inhibition of rat microsomal squalene synthase
Conditions: Concentration of substrates: 20µM FPP, 0.9 mM NADPH. 37°C