NAV

Epanolol

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

Identification

Generic Name
Epanolol
DrugBank Accession Number
DB13757
Background

Epanolol is an beta blocker.

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 369.421
Monoisotopic: 369.168856233
Chemical Formula
C20H23N3O4
Synonyms
  • Epanolol

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.
DrugInteraction
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interactions in your software
AbaloparatideThe risk or severity of adverse effects can be increased when Epanolol is combined with Abaloparatide.
AbataceptThe metabolism of Epanolol can be increased when combined with Abatacept.
AbirateroneThe metabolism of Epanolol can be decreased when combined with Abiraterone.
AcarboseThe therapeutic efficacy of Acarbose can be increased when used in combination with Epanolol.
AcebutololThe metabolism of Epanolol can be decreased when combined with Acebutolol.
AceclofenacAceclofenac may decrease the antihypertensive activities of Epanolol.
AcemetacinAcemetacin may decrease the antihypertensive activities of Epanolol.
AcetaminophenThe metabolism of Epanolol can be decreased when combined with Acetaminophen.
AcetohexamideThe therapeutic efficacy of Acetohexamide can be increased when used in combination with Epanolol.
AcetophenazineThe serum concentration of Epanolol can be increased when it is combined with Acetophenazine.
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Food Interactions
Not Available

Categories

ATC Codes
C07AB10 — Epanolol
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Phenol ethers
Sub Class
Not Available
Direct Parent
Phenol ethers
Alternative Parents
Phenoxy compounds / Benzonitriles / Alkyl aryl ethers / 1-hydroxy-2-unsubstituted benzenoids / Secondary alcohols / 1,2-aminoalcohols / Propargyl-type 1,3-dipolar organic compounds / Nitriles / Dialkylamines / Carboximidic acids
show 2 more
Substituents
1,2-aminoalcohol / 1-hydroxy-2-unsubstituted benzenoid / Alcohol / Alkyl aryl ether / Amine / Aromatic homomonocyclic compound / Benzonitrile / Carbonitrile / Carboximidic acid / Carboximidic acid derivative
show 17 more
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
acetamides (CHEBI:4800)
Affected organisms
Not Available

Chemical Identifiers

UNII
9KGC55KP6A
CAS number
86880-51-5
InChI Key
YARKMNAWFIMDKV-UHFFFAOYSA-N
InChI
InChI=1S/C20H23N3O4/c21-12-16-3-1-2-4-19(16)27-14-18(25)13-22-9-10-23-20(26)11-15-5-7-17(24)8-6-15/h1-8,18,22,24-25H,9-11,13-14H2,(H,23,26)
IUPAC Name
N-(2-{[3-(2-cyanophenoxy)-2-hydroxypropyl]amino}ethyl)-2-(4-hydroxyphenyl)acetamide
SMILES
OC(CNCCNC(=O)CC1=CC=C(O)C=C1)COC1=CC=CC=C1C#N

References

General References
  1. Hosie J, Scott AK, Petrie JC, Cockshott ID: Pharmacokinetics of epanolol after acute and chronic oral dosing in elderly patients with stable angina pectoris. Br J Clin Pharmacol. 1990 Mar;29(3):333-7. [Article]
KEGG Drug
D06646
KEGG Compound
C11773
ChemSpider
65013
BindingDB
50239977
ChEBI
4800
ChEMBL
CHEMBL87697
Wikipedia
Epanolol

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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 Solubility0.0613 mg/mLALOGPS
logP0.87ALOGPS
logP0.91ChemAxon
logS-3.8ALOGPS
pKa (Strongest Acidic)9.58ChemAxon
pKa (Strongest Basic)8.71ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area114.61 Å2ChemAxon
Rotatable Bond Count10ChemAxon
Refractivity101.03 m3·mol-1ChemAxon
Polarizability39.5 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
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

Enzymes

Details1. Cytochrome P450 2D6
Kind
Protein
Organism
Humans
Pharmacological action
No
Actions
Substrate
General Function
Steroid hydroxylase activity
Specific Function
Responsible for the metabolism of many drugs and environmental chemicals that it oxidizes. It is involved in the metabolism of drugs such as antiarrhythmics, adrenoceptor antagonists, and tricyclic...
Gene Name
CYP2D6
Uniprot ID
P10635
Uniprot Name
Cytochrome P450 2D6
Molecular Weight
55768.94 Da
References
  1. Sternieri E, Coccia CP, Pinetti D, Guerzoni S, Ferrari A: Pharmacokinetics and interactions of headache medications, part II: prophylactic treatments. Expert Opin Drug Metab Toxicol. 2006 Dec;2(6):981-1007. doi: 10.1517/17425255.2.6.981 . [Article]
  2. Brodde OE, Kroemer HK: Drug-drug interactions of beta-adrenoceptor blockers. Arzneimittelforschung. 2003;53(12):814-22. [Article]
  3. Iwaki M, Niwa T, Bandoh S, Itoh M, Hirose H, Kawase A, Komura H: Application of substrate depletion assay to evaluation of CYP isoforms responsible for stereoselective metabolism of carvedilol. Drug Metab Pharmacokinet. 2016 Dec;31(6):425-432. doi: 10.1016/j.dmpk.2016.08.007. Epub 2016 Sep 2. [Article]

Drug created at June 23, 2017 20:48 / Updated at February 21, 2021 18:54