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

Identification

Name
Ritanserin
Accession Number
DB12693
Description

Ritanserin has been used in trials studying the treatment of Cocaine-Related Disorders.

Type
Small Molecule
Groups
Investigational
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Structure
Thumb
Weight
Average: 477.57
Monoisotopic: 477.168639937
Chemical Formula
C27H25F2N3OS
Synonyms
  • Ritanserin
  • ritanserina
External IDs
  • R 55,667
  • R-55667

Pharmacology

Indication
Not Available
Contraindications & Blackbox Warnings
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Pharmacodynamics
Not Available
Mechanism of action
TargetActionsOrganism
U5-hydroxytryptamine receptor 2A
inverse agonist
Humans
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
Learn about our commercial Adverse Effects data.
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Toxicity
Not Available
Affected organisms
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
AbaloparatideThe therapeutic efficacy of Abaloparatide can be decreased when used in combination with Ritanserin.
AbciximabThe risk or severity of hemorrhage can be increased when Ritanserin is combined with Abciximab.
AcarboseThe risk or severity of hypoglycemia can be increased when Acarbose is combined with Ritanserin.
AcebutololThe metabolism of Acebutolol can be decreased when combined with Ritanserin.
AceclofenacThe risk or severity of gastrointestinal bleeding can be increased when Ritanserin is combined with Aceclofenac.
AcemetacinThe risk or severity of gastrointestinal bleeding can be increased when Ritanserin is combined with Acemetacin.
AcenocoumarolThe risk or severity of hemorrhage can be increased when Ritanserin is combined with Acenocoumarol.
AcetaminophenThe metabolism of Acetaminophen can be decreased when combined with Ritanserin.
AcetazolamideThe risk or severity of adverse effects can be increased when Acetazolamide is combined with Ritanserin.
AcetohexamideThe risk or severity of hypoglycemia can be increased when Ritanserin is combined with Acetohexamide.
Additional Data Available
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  • Evidence Level
    Evidence Level
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Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Diphenylmethanes
Direct Parent
Diphenylmethanes
Alternative Parents
Pyrimidones / Fluorobenzenes / Aralkylamines / Piperidines / Aryl fluorides / Thiazoles / Heteroaromatic compounds / Trialkylamines / Lactams / Azacyclic compounds
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Substituents
Amine / Aralkylamine / Aromatic heteropolycyclic compound / Aryl fluoride / Aryl halide / Azacycle / Azole / Diphenylmethane / Fluorobenzene / Halobenzene
show 18 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
piperidines, organofluorine compound, thiazolopyrimidine (CHEBI:64195)

Chemical Identifiers

UNII
145TFV465S
CAS number
87051-43-2
InChI Key
JUQLTPCYUFPYKE-UHFFFAOYSA-N
InChI
InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3
IUPAC Name
6-(2-{4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl}ethyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILES
CC1=C(CCN2CCC(CC2)=C(C2=CC=C(F)C=C2)C2=CC=C(F)C=C2)C(=O)N2C=CSC2=N1

References

General References
Not Available
PubChem Compound
5074
PubChem Substance
347828894
ChemSpider
4896
BindingDB
50001775
ChEBI
64195
ChEMBL
CHEMBL267777
ZINC
ZINC000000538314
PDBe Ligand
E2J
Wikipedia
Ritanserin
PDB Entries
6bqh

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentCocaine-Related 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 Solubility0.00981 mg/mLALOGPS
logP5.02ALOGPS
logP5.31ChemAxon
logS-4.7ALOGPS
pKa (Strongest Basic)8ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area35.91 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity144.47 m3·mol-1ChemAxon
Polarizability50.47 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
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
LC-MS/MS Spectrum - LC-ESI-qTof , PositiveLC-MS/MSNot Available
MS/MS Spectrum - , positiveLC-MS/MSsplash10-0006-2900000000-e63814b1ab90bb7dbff0
MS/MS Spectrum - , positiveLC-MS/MSsplash10-0fc3-2900000000-aeed8cd6efbb3b93af8e

Targets

Kind
Protein
Organism
Humans
Pharmacological action
Unknown
Actions
Inverse agonist
General Function
Virus receptor activity
Specific Function
G-protein coupled receptor for 5-hydroxytryptamine (serotonin). Also functions as a receptor for various drugs and psychoactive substances, including mescaline, psilocybin, 1-(2,5-dimethoxy-4-iodop...
Gene Name
HTR2A
Uniprot ID
P28223
Uniprot Name
5-hydroxytryptamine receptor 2A
Molecular Weight
52602.58 Da
References
  1. Muntasir HA, Bhuiyan MA, Ishiguro M, Ozaki M, Nagatomo T: Inverse agonist activity of sarpogrelate, a selective 5-HT2A-receptor antagonist, at the constitutively active human 5-HT2A receptor. J Pharmacol Sci. 2006 Oct;102(2):189-95. Epub 2006 Oct 7. [PubMed:17031071]

Enzymes

Kind
Protein
Organism
Humans
Pharmacological action
No
Actions
Inhibitor
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. Otton SV, Wu D, Joffe RT, Cheung SW, Sellers EM: Inhibition by fluoxetine of cytochrome P450 2D6 activity. Clin Pharmacol Ther. 1993 Apr;53(4):401-9. [PubMed:8477556]

Drug created on October 20, 2016 17:39 / Updated on June 12, 2020 10:53

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