NAV

Ritanserin

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

Identification

Generic Name
Ritanserin
DrugBank Accession Number
DB12693
Background

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

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 477.57
Monoisotopic: 477.168639937
Chemical Formula
C27H25F2N3OS
Synonyms
  • Ritanserin
  • ritanserina
External IDs
  • R 55,667
  • R-55667
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Pharmacology

Indication

Not Available

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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
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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
1,2-BenzodiazepineThe risk or severity of adverse effects can be increased when 1,2-Benzodiazepine is combined 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 Ritanserin is combined with Acarbose.
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.
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
show 5 more
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)
Affected organisms
Not Available

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
LC-MS/MS Spectrum - LC-ESI-qTof , PositiveLC-MS/MSsplash10-0fc3-2900000000-aeed8cd6efbb3b93af8e
MS/MS Spectrum - , positiveLC-MS/MSsplash10-0006-2900000000-e63814b1ab90bb7dbff0
MS/MS Spectrum - , positiveLC-MS/MSsplash10-0fc3-2900000000-aeed8cd6efbb3b93af8e
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-004i-0000900000-5c1fd32d323a98874df7
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a6u-0000900000-37d67c3118124bb10e4b
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-0000900000-4d8f8d1dcd1f3291c7b0
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-004i-0200900000-95ed7d236d26c854d5fe
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-002b-2920100000-0afd06656f001c24dcad
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0032-0192400000-b088a8ac4e931cfd5e32
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-212.58379
predicted
DeepCCS 1.0 (2019)
[M+H]+214.97935
predicted
DeepCCS 1.0 (2019)
[M+Na]+220.95412
predicted
DeepCCS 1.0 (2019)

Targets

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Details1. 5-hydroxytryptamine receptor 2A
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. [Article]

Enzymes

Details1. Cytochrome P450 2D6
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. [Article]

Drug created at October 20, 2016 23:39 / Updated at January 14, 2023 19:02