bempedoic acid   Click here for help

GtoPdb Ligand ID: 8321

Synonyms: ESP-55016 | ETC-1002 | Nexletol® | Nilemdo®
Approved drug
bempedoic acid is an approved drug (EMA & FDA (2020))
Compound class: Synthetic organic
Comment: Bempedoic acid (ETC-1002) is an orally delivered non-statin drug for treating dyslipidemia and related cardiovascular disease, which offers an additional pharmaceutical strategy for statin-refractory or statin-intolerant patients [1,4,6]. Its novel mechanism of action makes it the first-in-class ATP citrate lyase (ACLY; P53396) inhibitor to reach the clinic [8]. Bempedoic acid is in fact a prodrug, as it must be converted to its active metabolite bempedoic acid-CoA by endogenous liver acyl-CoA synthetase. Bempedoic acid-CoA is the bona fide ACLY inhibitor. ACLY is the primary enzyme responsible for the synthesis of cytosolic acetyl-CoA, which in turn is required for de novo lipogenesis and cholesterogenesis, and its inhibition directly reduces cholesterol synthesis in the liver [3].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 14
Topological polar surface area 94.83
Molecular weight 344.26
XLogP 4.03
No. Lipinski's rules broken 1
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InChI InChI=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)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (EMA & FDA (2020))
IUPAC Name Click here for help
8-hydroxy-2,2,14,14-tetramethylpentadecanedioic acid
International Nonproprietary Names Click here for help
INN number INN
9891 bempedoic acid
Synonyms Click here for help
ESP-55016 | ETC-1002 | Nexletol® | Nilemdo®
Database Links Click here for help
CAS Registry No. 738606-46-7 (source: WHO INN record)
ChEMBL Ligand CHEMBL3545313
DrugCentral Ligand 5382
GtoPdb PubChem SID 252166533
PubChem CID 10472693
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UniChem Compound Search for chemical match using the InChIKey HYHMLYSLQUKXKP-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey HYHMLYSLQUKXKP-UHFFFAOYSA-N