E5700

Ligand id: 3104

Name: E5700

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 69.06
Molecular weight 433.24
XLogP 3.87
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

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

Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
squalene synthase Inhibitor Inhibition 8.8 pIC50 - 1
pIC50 8.8 (IC50 1.5x10-9 M) [1]
Description: Inhibition of human recombinant squalene synthase
Conditions: Substrate concentration: 0.5µM FPP. pH 7.4, 37°C