Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR5353)
Drug Name
Bempedoic acid
Synonyms
ETC-1002; bempedoic acid; 738606-46-7; 8-Hydroxy-2,2,14,14-tetramethylpentadecanedioic acid; ESP-55016; UNII-1EJ6Z6Q368; ETC 1002; Bempedoic acid; ESP-55016; 1EJ6Z6Q368; Bempedoate; Bempedoic acid [USAN:INN]; ETC1002; ESP 55016; Bempedoic acid (USAN/INN); SCHEMBL185768; GTPL8321; CHEMBL3545313; HYHMLYSLQUKXKP-UHFFFAOYSA-N; EX-A1243; ZINC3948738; BCP16083; s7953; AKOS027439916; CS-3952; DB11936; AK499358; AC-29040; AS-49804; HY-12357; Bempedoic Acid(ETC-1002;ESP-55016); D10691; Pentadecanedioic acid, 8-hydroxy-2,2,14,14-tetramethyl-
Indication Hypertriglyceridaemia [ICD11: 5C80] Approved [1]
Cardiovascular disease [ICD11: ICD11: BA00-BE2Z] Phase 3 [2]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 344.5 Topological Polar Surface Area 94.8
Heavy Atom Count 24 Rotatable Bond Count 14
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
10472693
ChEBI ID
CHEBI:149601
CAS Number
738606-46-7
TTD Drug ID
D0D9NY
Formula
C19H36O5
Canonical SMILES
CC(C)(CCCCCC(CCCCCC(C)(C)C(=O)O)O)C(=O)O
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)
InChIKey
HYHMLYSLQUKXKP-UHFFFAOYSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
ESP15228 DM005006
11336822
Unclear 1 [6] , [4]
ETC-1002-CoA DM005009 N. A. Unclear 1 [5] , [4]
ETC-1002-glucuronide DM005017 N. A. Unclear 1 [4]
ETC-1002-sulfate DM005018 N. A. Unclear 1 [4]
Hydroxymethyl-ETC-1002 DM005013 N. A. Unclear 1 [4]
Carboxy-ETC-1002 DM005014 N. A. Unclear 2 [4]
ESP15228-CoA DM005007 N. A. Unclear 2 [4]
ESP15228-glucuronide DM005015 N. A. Unclear 2 [3]
ETC-1002-taurine DM005010 N. A. Unclear 2 [4]
Glucuronide conjugates DM005012 N. A. Unclear 2 [3]
Hydroxymethyl-ESP 15228 DM005016 N. A. Unclear 2 [4]
ESP15228-taurine DM005008 N. A. Unclear 3 [4]
Hydroxymethyl-ETC-1002-taurine DM005011 N. A. Unclear 3 [4]
⏷ Show the Full List of 13  DM(s)
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR005432 Bempedoic acid ESP15228 Unclear Unclear [6], [4]
MR005435 Bempedoic acid ETC-1002-CoA Unclear SLC27A2 [5], [4]
MR005439 Bempedoic acid Hydroxymethyl-ETC-1002 Unclear Unclear [4]
MR005443 Bempedoic acid ETC-1002-glucuronide Unclear Unclear [4]
MR005444 Bempedoic acid ETC-1002-sulfate Unclear Unclear [4]
MR005433 ESP15228 ESP15228-CoA Unclear Unclear [4]
MR005441 ESP15228 ESP15228-glucuronide Unclear UGT2B7 [3]
MR005442 ESP15228 Hydroxymethyl-ESP 15228 Unclear Unclear [4]
MR005436 ETC-1002-CoA ETC-1002-taurine Unclear Unclear [4]
MR005438 ETC-1002-CoA Glucuronide conjugates Unclear UGT2B7 [3]
MR005440 Hydroxymethyl-ETC-1002 Carboxy-ETC-1002 Unclear Unclear [4]
MR005434 ESP15228-CoA ESP15228-taurine Unclear SLC27A2 [4]
MR005437 ETC-1002-taurine Hydroxymethyl-ETC-1002-taurine Unclear Unclear [4]
⏷ Show the Full List of 13 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
UDP-glucuronosyltransferase 2B7 (UGT2B7) DME0040 Homo sapiens
UD2B7_HUMAN
2.4.1.17
[3]
Very long-chain acyl-CoA synthetase (SLC27A2) DMEN256 Homo sapiens
S27A2_HUMAN
6.2.1.-
[4]
Very long-chain acyl-CoA synthetase (SLC27A2) DMEN256 Homo sapiens
S27A2_HUMAN
6.2.1.-
[5]
References
1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2020
2 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
3 DrugBank(Pharmacology-Metabolism):Bempedoic acid
4 The Disposition and Metabolism of Bempedoic Acid, a Potent Inhibitor of ATP Citrate Lyase, in Healthy Human Subjects
5 Bempedoic Acid (ETC-1002): A Current Review
6 Measurement of bempedoic acid and its keto metabolite in human plasma and urine using solid phase extraction and electrospray LC-MS/MS

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