compound 19 [PMID: 7473541]

Ligand id: 3112

Name: compound 19 [PMID: 7473541]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 11
Topological polar surface area 47.56
Molecular weight 305.2
XLogP 4.12
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

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

Selectivity at rat enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
squalene synthase Inhibitor Inhibition 10.3 pIC50 - 1
pIC50 10.3 (IC50 5x10-11 M) [1]
Description: Inhibition of rat microsomal squalene synthase
Conditions: Concentration of substrates: 20µM FPP, 0.9 mM NADPH. 37°C