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 3.96
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
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.
Database Links
ChEMBL Ligand CHEMBL1531556
GtoPdb PubChem SID 315661174
PubChem CID 123823
Search Google for chemical match using the InChIKey DZLOHEOHWICNIL-QGZVFWFLSA-N
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Search UniChem for chemical match using the InChIKey DZLOHEOHWICNIL-QGZVFWFLSA-N
Search UniChem for chemicals with the same backbone DZLOHEOHWICNIL
Wikipedia Etomoxir