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

Identification

Generic Name
Apabetalone
DrugBank Accession Number
DB12000
Background

Apabetalone has been investigated for the treatment of Diabetes, Atherosclerosis, and Coronary Artery Disease.

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 370.3991
Monoisotopic: 370.152871824
Chemical Formula
C20H22N2O5
Synonyms
  • Apabetalone
External IDs
  • RVX-000222
  • RVX-208
  • RVX000222

Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Diazanaphthalenes
Sub Class
Benzodiazines
Direct Parent
Quinazolines
Alternative Parents
m-Xylenes / Phenoxy compounds / Anisoles / Pyrimidones / Alkyl aryl ethers / Vinylogous esters / Vinylogous amides / Heteroaromatic compounds / Azacyclic compounds / Primary alcohols
show 3 more
Substituents
Alcohol / Alkyl aryl ether / Anisole / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Ether / Heteroaromatic compound / Hydrocarbon derivative / M-xylene
show 15 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
8R4A7GDZ1D
CAS number
1044870-39-4
InChI Key
NETXMUIMUZJUTB-UHFFFAOYSA-N
InChI
InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
IUPAC Name
2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxy-1,4-dihydroquinazolin-4-one
SMILES
COC1=CC2=C(C(=O)N=C(N2)C2=CC(C)=C(OCCO)C(C)=C2)C(OC)=C1

References

General References
Not Available
PubChem Compound
24871506
PubChem Substance
347828319
ChemSpider
25069708
BindingDB
50103503
ChEMBL
CHEMBL2393130
ZINC
ZINC000043199551
PDBe Ligand
1K0
Wikipedia
Apabetalone
PDB Entries
4j1p / 4j3i / 4mr3 / 4mr4 / 4mr5 / 4mr6

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedPreventionCoronary Artery Disease (CAD) / Type 2 Diabetes Mellitus1
2CompletedTreatmentAtherosclerosis / Coronary Artery Disease (CAD)1
2CompletedTreatmentCoronary Artery Disease (CAD)1
2CompletedTreatmentCoronary Artery Disease (CAD) / Dyslipidemia1
2CompletedTreatmentDiabetes1
2Not Yet RecruitingTreatmentPulmonary Arterial Hypertension (PAH)1
2TerminatedBasic ScienceCoronary Artery Disease (CAD) / Dyslipidemia1
2, 3RecruitingTreatmentCoronavirus Disease 2019 (COVID‑19) / Covid 19 Infection1
1, 2CompletedTreatmentAcute Coronary Syndrome (ACS) / Atherosclerosis / Cardiovascular Disease (CVD) / Dyslipidemia1
1, 2Not Yet RecruitingTreatmentFabry's Disease1

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 Solubility0.0432 mg/mLALOGPS
logP2.49ALOGPS
logP3.01ChemAxon
logS-3.9ALOGPS
pKa (Strongest Acidic)12.63ChemAxon
pKa (Strongest Basic)-1.5ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area89.38 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity103.39 m3·mol-1ChemAxon
Polarizability40.2 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
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

Drug created at October 20, 2016 21:09 / Updated at February 21, 2021 18:53