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

Identification

Name
Talinolol
Accession Number
DB11770
Type
Small Molecule
Groups
Investigational
Description

Talinolol has been investigated for the basic science of Gastrointestinal Motility Disorder.

Structure
Thumb
Synonyms
Not Available
Categories
UNII
3S82268BKG
CAS number
57460-41-0
Weight
Average: 363.4943
Monoisotopic: 363.252191937
Chemical Formula
C20H33N3O3
InChI Key
MXFWWQICDIZSOA-UHFFFAOYSA-N
InChI
InChI=1S/C20H33N3O3/c1-20(2,3)21-13-17(24)14-26-18-11-9-16(10-12-18)23-19(25)22-15-7-5-4-6-8-15/h9-12,15,17,21,24H,4-8,13-14H2,1-3H3,(H2,22,23,25)
IUPAC Name
N-{4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl}-N'-cyclohexylcarbamimidic acid
SMILES
CC(C)(C)NCC(O)COC1=CC=C(NC(O)=NC2CCCCC2)C=C1

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 Talinolol.
1,10-Phenanthroline1,10-Phenanthroline may increase the bradycardic activities of Talinolol.
4-Methoxyamphetamine4-Methoxyamphetamine may increase the atrioventricular blocking (AV block) activities of Talinolol.
7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline may increase the hypotensive activities of Talinolol.
AcebutololAcebutolol may increase the hypotensive activities of Talinolol.
AceclofenacAceclofenac may decrease the antihypertensive activities of Talinolol.
AcemetacinThe therapeutic efficacy of Talinolol can be decreased when used in combination with Acemetacin.
AcepromazineTalinolol may increase the orthostatic hypotensive activities of Acepromazine.
AceprometazineAceprometazine may increase the hypotensive activities of Talinolol.
AcetaminophenThe serum concentration of Talinolol can be increased when it is combined with Acetaminophen.
Food Interactions
Not Available

References

General References
Not Available
External Links
Human Metabolome Database
HMDB0042020
PubChem Compound
68770
PubChem Substance
347828123
ChemSpider
62014
ChEBI
135533
ChEMBL
CHEMBL152067
Wikipedia
Talinolol
ATC Codes
C07AB13 — Talinolol

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedBasic ScienceDrug Biotransformation / Membrane Transport1
1CompletedBasic ScienceGenotype-related Drug Metabolism1
1CompletedBasic ScienceObesity, Morbid1
1CompletedBasic ScienceUpper gastrointestinal motility disorders1

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 Solubility0.0593 mg/mLALOGPS
logP3.29ALOGPS
logP2.3ChemAxon
logS-3.8ALOGPS
pKa (Strongest Acidic)8.62ChemAxon
pKa (Strongest Basic)9.79ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area86.11 Å2ChemAxon
Rotatable Bond Count8ChemAxon
Refractivity104.99 m3·mol-1ChemAxon
Polarizability42.25 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 n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
N-phenylureas
Direct Parent
N-phenylureas
Alternative Parents
Phenoxy compounds / Phenol ethers / Alkyl aryl ethers / Ureas / Secondary alcohols / 1,2-aminoalcohols / Dialkylamines / Organopnictogen compounds / Organic oxides / Hydrocarbon derivatives
show 1 more
Substituents
N-phenylurea / Phenoxy compound / Phenol ether / Alkyl aryl ether / 1,2-aminoalcohol / Urea / Secondary alcohol / Carbonic acid derivative / Secondary aliphatic amine / Ether
show 12 more
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available

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 October 20, 2016 14:46 / Updated on October 01, 2018 15:04