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

Identification

Name
Epanolol
Accession Number
DB13757
Type
Small Molecule
Groups
Experimental
Description

Epanolol is an beta blocker.

Structure
Thumb
Synonyms
Not Available
Categories
UNII
9KGC55KP6A
CAS number
86880-51-5
Weight
Average: 369.421
Monoisotopic: 369.168856233
Chemical Formula
C20H23N3O4
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

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
(4R)-limonene(4R)-limonene may decrease the antihypertensive activities of Epanolol.
1,10-Phenanthroline1,10-Phenanthroline may increase the bradycardic activities of Epanolol.
4-Methoxyamphetamine4-Methoxyamphetamine may increase the atrioventricular blocking (AV block) activities of Epanolol.
7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline may increase the hypotensive activities of Epanolol.
AcebutololAcebutolol may increase the hypotensive activities of Epanolol.
AceclofenacAceclofenac may decrease the antihypertensive activities of Epanolol.
AcemetacinThe therapeutic efficacy of Epanolol can be decreased when used in combination with Acemetacin.
AcepromazineEpanolol may increase the orthostatic hypotensive activities of Acepromazine.
AceprometazineAceprometazine may increase the hypotensive activities of Epanolol.
AcetohexamideEpanolol may increase the hypoglycemic activities of Acetohexamide.
Food Interactions
Not Available

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. [PubMed:1968755]
External Links
KEGG Drug
D06646
KEGG Compound
C11773
ChemSpider
65013
ChEBI
4800
ChEMBL
CHEMBL87697
Wikipedia
Epanolol
ATC Codes
C07AB10 — Epanolol

Clinical Trials

Clinical Trials
Not Available

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

Taxonomy

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
Phenoxy compound / Benzonitrile / Phenol ether / 1-hydroxy-2-unsubstituted benzenoid / Alkyl aryl ether / Phenol / Monocyclic benzene moiety / 1,2-aminoalcohol / Secondary alcohol / Carboximidic acid
show 17 more
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
acetamides (CHEBI:4800)

Enzymes

Kind
Protein
Organism
Human
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 . [PubMed:17125412]
  2. Brodde OE, Kroemer HK: Drug-drug interactions of beta-adrenoceptor blockers. Arzneimittelforschung. 2003;53(12):814-22. [PubMed:14732961]
  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. [PubMed:27836712]

Drug created on June 23, 2017 14:48 / Updated on October 01, 2018 15:37