CHEBI:228365 - pemafibrate

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ChEBI Name pemafibrate
ChEBI ID CHEBI:228365
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C28H30N2O6
Net Charge 0
Average Mass 490.556
Monoisotopic Mass 490.21039
InChI InChI=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
InChIKey ZHKNLJLMDFQVHJ-RUZDIDTESA-N
SMILES CC[C@@H](OC1=CC(CN(CCCOC2=CC=C(OC)C=C2)C2=NC3=CC=CC=C3O2)=CC=C1)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): PPARalpha agonist
A PPAR modulator which activates the peroxisome proliferator-activated receptor-alpha.
Application(s): antilipemic drug
A substance used to treat hyperlipidemia (an excess of lipids in the blood).
hepatoprotective agent
Any compound that is able to prevent damage to the liver.
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ChEBI Ontology
Outgoing pemafibrate (CHEBI:228365) has role antilipemic drug (CHEBI:35679)
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
Synonyms Sources
(2R)-2-[3-[[2-benzoxazolyl[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acid ChEBI
(R)-2-[3-[[N-(benzoxazol-2-yl)-N-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acid ChEBI
(R)-K 13675 ChEBI
(R)-K-13675 ChEBI
K 877 ChEBI
K-877 ChEBI
K877 ChEBI
Brand Name Source
Parmodia KEGG DRUG
Manual Xrefs Databases
9572605 ChemSpider
D10711 KEGG DRUG
DB15212 DrugBank
HMDB0256213 HMDB
P7F PDBeChem
Pemafibrate Wikipedia
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Registry Number Type Source
848259-27-8 CAS Registry Number DrugBank
Citations Waiting for Citations Types Sources
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Last Modified
03 January 2024