Details of the Drug

General Information of Drug (ID: DM1CI9R)

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
Disease Entry ICD 11 Status REF
Familial hypercholesterolemia 5C80.00 Approved [1]
Cardiovascular disease BA00-BE2Z Phase 3 [2]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 344.5
Topological Polar Surface Area (xlogp) 4.8
Rotatable Bond Count (rotbonds) 14
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 5
ADMET Property
Absorption Tmax
The time to maximum plasma concentration (Tmax) is 3.5 h [3]
Clearance
The clearance of drug is 11.2 mL/min [3]
Elimination
The drug are primarily eliminated via the urine (70%) and the feces (30%) [3]
Half-life
The concentration or amount of drug in body reduced by one-half in 15 - 24 hours [4]
Metabolism
The drug is metabolized via the metabolism of its acyl glucuronide [5]
Vd
The volume of distribution (Vd) of drug is 18 L [3]
Chemical Identifiers
Formula
C19H36O5
IUPAC Name
8-hydroxy-2,2,14,14-tetramethylpentadecanedioic acid
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
Cross-matching ID
PubChem CID
10472693
ChEBI ID
CHEBI:149601
CAS Number
738606-46-7
DrugBank ID
DB11936
TTD ID
D0D9NY
ACDINA ID
D00867

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
ATP-citrate synthase (ACLY) TT0Z6Y2 ACLY_HUMAN Inhibitor [1]
Cholesterol synthesis (Chole synth) TTRA79S NOUNIPROTAC Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Drug-Drug Interaction (DDI) Information of This Drug

Coadministration of a Drug Treating the Disease Different from Bempedoic acid (Comorbidity)
DDI Drug Name DDI Drug ID Severity Mechanism Comorbidity REF
ABT-492 DMJFD2I Major Increased risk of tendinitis/tendon rupture by the combination of Bempedoic acid and ABT-492. Bacterial infection [1A00-1C4Z] [8]

Drug Inactive Ingredient(s) (DIG) and Formulation(s) of This Drug

DIG
DIG Name DIG ID PubChem CID Functional Classification
Hydroxypropyl cellulose E00632 Not Available Binding agent; Coating agent; Emulsifying agent; Film/Membrane-forming agent; Modified-release agent; Suspending agent; Viscosity-controlling agent
Lactose monohydrate E00393 104938 Binding agent; Diluent; Dry powder inhaler carrier; Lyophilization aid
Magnesium stearate E00208 11177 lubricant
Polyethylene glycol 4000 E00654 Not Available Coating agent; Diluent; Ointment base; Plasticizing agent; Solvent; Suppository base; lubricant
Polyvinyl alcohol E00666 Not Available Coating agent; Emulsion stabilizing agent; Film/Membrane-forming agent
Talc E00520 16211421 Anticaking agent; Diluent; Glidant; lubricant
Titanium dioxide E00322 26042 Coating agent; Colorant; Opacifying agent
Hydrophobic colloidal silica E00285 24261 Anticaking agent; Emulsion stabilizing agent; Glidant; Suspending agent; Viscosity-controlling agent
Cellulose microcrystalline E00698 Not Available Adsorbent; Suspending agent; Diluent
⏷ Show the Full List of 9 Pharmaceutical Excipients of This Drug
Pharmaceutical Formulation
Formulation Name Drug Dosage Dosage Form Route
Bempedoic Acid 180mg tablet 180mg Tablet Oral
Jump to Detail Pharmaceutical Formulation Page of This Drug

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 FDA Approved Products: Nexletol (bempedoic acid) oral tablets
4 Bempedoic Acid (ETC-1002): A Current Review. Cardiol Clin. 2018 May;36(2):257-264. doi: 10.1016/j.ccl.2017.12.007. Epub 2018 Feb 21.
5 Walker CJ, Cowan DA, James VH, Lau JC, Kicman AT: Doping in sport: 3. Metabolic conversion of oral norethisterone to urinary 19-norandrosterone. Steroids. 2009 Mar;74(3):341-9. doi: 10.1016/j.steroids.2008.11.008. Epub 2008 Nov 19.
6 The biology and chemistry of hyperlipidemia. Bioorg Med Chem. 2007 Jul 15;15(14):4674-99.
7 2-hydroxy-N-arylbenzenesulfonamides as ATP-citrate lyase inhibitors. Bioorg Med Chem Lett. 2007 Jun 1;17(11):3208-11.
8 Product Information. Nexletol (bempedoic acid). Esperion Therapeutics, Ann Arbor, MI.