Bempedoic acid

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Name
Bempedoic acid
Accession Number
DB11936
Type
Small Molecule
Groups
Investigational
Description

Bempedoic acid has been used in trials studying the treatment of Hypertension, Dyslipidemia, Hyperlipidemia, Type 2 Diabetes, and Hypercholesterolemia, among others.

Structure
Thumb
Synonyms
Not Available
External IDs
ESP-55016 / ETC-1002 / ETC1002
Categories
UNII
1EJ6Z6Q368
CAS number
738606-46-7
Weight
Average: 344.492
Monoisotopic: 344.256274259
Chemical Formula
C19H36O5
InChI Key
HYHMLYSLQUKXKP-UHFFFAOYSA-N
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)
IUPAC Name
8-hydroxy-2,2,14,14-tetramethylpentadecanedioic acid
SMILES
CC(C)(CCCCCC(O)CCCCCC(C)(C)C(O)=O)C(O)=O

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
Not Available
Absorption
Not Available
Volume of distribution
Not Available
Protein binding
Not Available
Metabolism
Not Available
Route of elimination
Not Available
Half life
Not Available
Clearance
Not Available
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteraction
AcetazolamideThe therapeutic efficacy of Bempedoic acid can be increased when used in combination with Acetazolamide.
Acetylsalicylic acidAcetylsalicylic acid may increase the hypoglycemic activities of Bempedoic acid.
AmcinonideThe therapeutic efficacy of Bempedoic acid can be decreased when used in combination with Amcinonide.
Aminosalicylic AcidAminosalicylic Acid may increase the hypoglycemic activities of Bempedoic acid.
AmitriptylineAmitriptyline may decrease the hypoglycemic activities of Bempedoic acid.
AmoxapineAmoxapine may decrease the hypoglycemic activities of Bempedoic acid.
AripiprazoleThe therapeutic efficacy of Bempedoic acid can be decreased when used in combination with Aripiprazole.
Arsenic trioxideThe therapeutic efficacy of Bempedoic acid can be decreased when used in combination with Arsenic trioxide.
ArticaineThe therapeutic efficacy of Bempedoic acid can be decreased when used in combination with Articaine.
AsenapineThe therapeutic efficacy of Bempedoic acid can be decreased when used in combination with Asenapine.
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
10472693
PubChem Substance
347828263
ChemSpider
8648104
ChEMBL
CHEMBL3545313

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentMild Dyslipidemia1
1CompletedTreatmentSafety Evaluation of Escalating Doses1
2CompletedTreatmentDyslipidemias1
2CompletedTreatmentHigh Blood Pressure (Hypertension) / High Cholesterol1
2CompletedTreatmentHigh Cholesterol6
2CompletedTreatmentHyperlipidemias1
2CompletedTreatmentHyperlipidemias / Type 2 Diabetes Mellitus1
3Active Not RecruitingTreatmentAtherosclerotic Cardiovascular Diseases / High Cholesterol2
3CompletedTreatmentAtherosclerosis / High Cholesterol / Statin Adverse Reaction1
3CompletedTreatmentAtherosclerotic Cardiovascular Diseases / High Cholesterol1
3CompletedTreatmentAtherosclerotic Cardiovascular Diseases / High Cholesterol / Statin Adverse Reaction1
3CompletedTreatmentHyperlipidemias1
3RecruitingTreatmentCardiovascular Disease (CVD) / Statin Adverse Reaction1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0211 mg/mLALOGPS
logP3.65ALOGPS
logP5.3ChemAxon
logS-4.2ALOGPS
pKa (Strongest Acidic)4.44ChemAxon
pKa (Strongest Basic)-1.3ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area94.83 Å2ChemAxon
Rotatable Bond Count14ChemAxon
Refractivity93.97 m3·mol-1ChemAxon
Polarizability41.08 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.
Kingdom
Organic compounds
Super Class
Lipids and lipid-like molecules
Class
Fatty Acyls
Sub Class
Fatty acids and conjugates
Direct Parent
Long-chain fatty acids
Alternative Parents
Methyl-branched fatty acids / Hydroxy fatty acids / Dicarboxylic acids and derivatives / Secondary alcohols / Carboxylic acids / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
Substituents
Long-chain fatty acid / Methyl-branched fatty acid / Hydroxy fatty acid / Branched fatty acid / Dicarboxylic acid or derivatives / Secondary alcohol / Carboxylic acid / Carboxylic acid derivative / Organic oxygen compound / Organic oxide
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:02 / Updated on October 01, 2018 15:07