compound 2a (+) [PMID: 8709131]

Ligand id: 3102

Name: compound 2a (+) [PMID: 8709131]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 23.47
Molecular weight 279.16
XLogP 6.05
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 8.1 pIC50 - 1
pIC50 8.1 (IC50 7x10-9 M) [1]
Description: In vitro inhibition against rat microsomal squalene synthase (SS)
Conditions: Concentration of substrates: 20µM FPP, 0.9 mM NADPH. 37°C