palmoxiric acid

Ligand id: 2683

Name: palmoxiric acid

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 14
Topological polar surface area 49.83
Molecular weight 284.24
XLogP 6.59
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
2-tetradecyloxirane-2-carboxylic acid
International Nonproprietary Names
INN number INN
5260 palmoxiric acid
Synonyms
(±) acid 3 [1] | 2-tetradecylglycidic acid | MCN-3802 | MCN-3802-21-98
Database Links
CAS Registry No. 68170-97-8 (source: Scifinder)
ChEMBL Ligand CHEMBL12394
PubChem CID 71976
Search Google for chemical match using the InChIKey FGIJQXGDQVNWKH-UHFFFAOYSA-N
Search Google for chemicals with the same backbone FGIJQXGDQVNWKH
Search PubMed clinical trials palmoxiric acid
Search PubMed titles palmoxiric acid
Search PubMed titles/abstracts palmoxiric acid
Search UniChem for chemical match using the InChIKey FGIJQXGDQVNWKH-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone FGIJQXGDQVNWKH
Comments
Palmoxiric acid is an orally active inhibitor of long-chain fatty acid oxidation with hypoglycemic activity. The major activity of this compound is as a carnitine palmitoyl transferase (CPT) inhibitor. The majority of the biological activity resides with the R enantiomer, which is converted to its CoA ester in vivo [1].
The INN-assigned compound palmoxiric acid is a racemic mixture of two enantiomers. The structure shown here does not specify stereochemistry and represents the mixture.