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CHEBI:228365 - pemafibrate

Default Structure
ChEBI IDCHEBI:228365
ChEBI Namepemafibrate
Stars
DefinitionA member of the class of 1,3-benzoxazoles that is 1,3-benzoxazol-2-amine in which the amino hydrogens are replaced by 3-[(1R)-1-carboxypropoxy]benzyl and 3-(4-methoxyphenoxy)propyl groups. It is a selective peroxisome proliferator-activated receptor (PPAR)-α agonist that is used for the treatment of hyperlipidaemia.
Last Modified3 January 2024
SubmitterAdnan
DownloadsMolfile
FormulaC28H30N2O6
Net Charge0
Average Mass490.556
Monoisotopic Mass490.21039
SMILESCC[C@@H](Oc1cccc(CN(CCCOc2ccc(OC)cc2)c2nc3ccccc3o2)c1)C(=O)O
InChIInChI=1S/C28H30N2O6/c1-3-25(27(31)32)35-23-9-6-8-20(18-23)19-30(28-29-24-10-4-5-11-26(24)36-28)16-7-17-34-22-14-12-21(33-2)13-15-22/h4-6,8-15,18,25H,3,7,16-17,19H2,1-2H3,(H,31,32)/t25-/m1/s1
InChIKeyZHKNLJLMDFQVHJ-RUZDIDTESA-N
Wikipedia
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
PPARalpha agonist  A PPAR modulator which activates the peroxisome proliferator-activated receptor-α.
Applications:
cardiovascular drug  A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume.
hepatoprotective agent  Any compound that is able to prevent damage to the liver.
antilipemic drug  A substance used to treat hyperlipidemia (an excess of lipids in the blood).
ChEBI Ontology
Outgoing Relation(s)
pemafibrate (CHEBI:228365) has role antilipemic drug (CHEBI:35679)
pemafibrate (CHEBI:228365) has role cardiovascular drug (CHEBI:35554)
pemafibrate (CHEBI:228365) has role hepatoprotective agent (CHEBI:62868)
pemafibrate (CHEBI:228365) has role PPARα agonist (CHEBI:70782)
pemafibrate (CHEBI:228365) is a 1,3-benzoxazoles (CHEBI:51548)
pemafibrate (CHEBI:228365) is a aromatic amine (CHEBI:33860)
pemafibrate (CHEBI:228365) is a methoxybenzenes (CHEBI:51683)
pemafibrate (CHEBI:228365) is a monocarboxylic acid (CHEBI:25384)
pemafibrate (CHEBI:228365) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
(2R)-2-[3-({1,3-benzoxazol-2-yl[3-(4-methoxyphenoxy)propyl]amino}methyl)phenoxy]butanoic acid
INN  Source
pemafibratoWHO MedNet
Synonyms  Source
(2R)-2-[3-[[2-benzoxazolyl[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acidChEBI
(R)-2-[3-[[N-(benzoxazol-2-yl)-N-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acidChEBI
(R)-K 13675ChEBI
(R)-K-13675ChEBI
K-13675, (r)-ChEMBL
K 877ChEBI
Brand Name  Source
ParmodiaKEGG DRUG
Manual XrefsDatabases
9572605ChemSpider
D10711KEGG DRUG
DB15212DrugBank
HMDB0256213HMDB
P7FPDBeChem
PemafibrateWikipedia
Registry NumbersSources
CAS:848259-27-8DrugBank
Citations