etomoxir

Ligand id: 9089

Name: etomoxir

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 11
Topological polar surface area 48.06
Molecular weight 326.13
XLogP 3.97
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!)

Bioactivity Comments
The (R) enantiomer is more active than the (S) form. Under physiological conditions etomoxir is converted to etomoxiryl-CoA for transport across the outer mitochondrial membrane.
(R)-etomoxir inhibits fatty acid oxidation in rat hepatocytes with an IC50 of ~2000nM [1].
The (S) enantiomer inhibits fatty acid and cholesterol synthesis to the same extent as the (R) enantiomer [1].