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CHEBI:149601 - bempedoic acid

ChEBI IDCHEBI:149601
ChEBI Namebempedoic acid
Stars
DefinitionAn α,ω-dicarboxylic acid that is pentadecanedioic acid which is substituted by methyl groups groups at positions 2 and 14, and by a hydroxy group at position 8. It is a drug used for the treatment of high LDL cholesterol, which is sometimes referred to as 'bad cholesterol'.
Last Modified27 April 2020
SubmitterAdnan
DownloadsMolfile
FormulaC19H36O5
Net Charge0
Average Mass344.492
Monoisotopic Mass344.25627
SMILESCC(C)(CCCCCC(O)CCCCCC(C)(C)C(=O)O)C(=O)O
InChIInChI=1S/C19H36O5/c1-18(2,16(21)22)13-9-5-7-11-15(20)12-8-6-10-14-19(3,4)17(23)24/h15,20H,5-14H2,1-4H3,(H,21,22)(H,23,24)
InChIKeyHYHMLYSLQUKXKP-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
EC 2.3.3.8 (ATP citrate synthase) inhibitor  An EC 2.3.3.* (acyltransferase converting acyl to alkyl group on transfer) inhibitor that interferes with the action of ATP citrate synthase (EC 2.3.3.8).
Applications:
prodrug  A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug.
antilipemic drug  A substance used to treat hyperlipidemia (an excess of lipids in the blood).
ChEBI Ontology
Outgoing Relation(s)
bempedoic acid (CHEBI:149601) has role antilipemic drug (CHEBI:35679)
bempedoic acid (CHEBI:149601) has role EC 2.3.3.8 (ATP citrate synthase) inhibitor (CHEBI:149598)
bempedoic acid (CHEBI:149601) has role prodrug (CHEBI:50266)
bempedoic acid (CHEBI:149601) is a α,ω-dicarboxylic acid (CHEBI:28383)
IUPAC Name 
8-hydroxy-2,2,14,14-tetramethylpentadecanedioic acid
INNs  Source
bempedoic acidWHO MedNet
acidum bempedoicumWHO MedNet
acide bempédoïqueWHO MedNet
ácido bempedoicoWHO MedNet
Synonyms  Source
ETC1002ChemIDplus
ETC 1002ChemIDplus
ETC-1002ChemIDplus
ESP-55016ChemIDplus
ESP 55016ChemIDplus
Brand Name  Source
NexletolKEGG DRUG
Manual XrefsDatabases
Bempedoic_acidWikipedia
DB11936DrugBank
D10691KEGG DRUG
Registry NumbersSources
CAS:738606-46-7ChemIDplus
Citations