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

Classification
Compound class Synthetic organic
IUPAC Name
ethyl (2R)-2-[6-(4-chlorophenoxy)hexyl]oxirane-2-carboxylate
International Nonproprietary Names
INN number INN
5553 etomoxir
Synonyms
rac-etomoxir ethyl ester
Database Links
ChEMBL Ligand CHEMBL1531556
PubChem CID 123823
Search Google for chemical match using the InChIKey DZLOHEOHWICNIL-QGZVFWFLSA-N
Search Google for chemicals with the same backbone DZLOHEOHWICNIL
Search PubMed clinical trials etomoxir
Search PubMed titles etomoxir
Search PubMed titles/abstracts etomoxir
Search UniChem for chemical match using the InChIKey DZLOHEOHWICNIL-QGZVFWFLSA-N
Search UniChem for chemicals with the same backbone DZLOHEOHWICNIL
Wikipedia Etomoxir
Comments
Etomoxir is an irreversible inhibitor of mitochondrial carnitine palmitoyltransferase 1 (CPT1). It is one of the most widely used chemical probes for studying mitochondrial fatty acid β-oxidation.
We show the (R) enantiomer, which is the active form responsible for fatty acid oxidation.