Ketanserin

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

Identification

Generic Name
Ketanserin
DrugBank Accession Number
DB12465
Background

Ketanserin has been investigated for the treatment of Septic Shock, Severe Sepsis, and Diabetic Foot Ulcer.

Type
Small Molecule
Groups
Investigational
Structure
Thumb
Weight
Average: 395.434
Monoisotopic: 395.164519743
Chemical Formula
C22H22FN3O3
Synonyms
  • Ketanserin
  • ketanserina
External IDs
  • R-41,468
  • R-41468

Pharmacology

Indication

Not Available

Pharmacology
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Contraindications & Blackbox Warnings
Contraindications
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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
Adverseeffects
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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
1,2-BenzodiazepineThe risk or severity of adverse effects can be increased when Ketanserin is combined with 1,2-Benzodiazepine.
AbciximabThe risk or severity of bleeding can be increased when Ketanserin is combined with Abciximab.
AcebutololAcebutolol may increase the hypotensive activities of Ketanserin.
AceclofenacThe risk or severity of bleeding can be increased when Aceclofenac is combined with Ketanserin.
AcemetacinThe risk or severity of bleeding can be increased when Acemetacin is combined with Ketanserin.
AcenocoumarolThe risk or severity of bleeding can be increased when Ketanserin is combined with Acenocoumarol.
AcetazolamideThe risk or severity of adverse effects can be increased when Acetazolamide is combined with Ketanserin.
AcetophenazineThe risk or severity of adverse effects can be increased when Acetophenazine is combined with Ketanserin.
Acetylsalicylic acidAcetylsalicylic acid may increase the antiplatelet activities of Ketanserin.
AclidiniumKetanserin may increase the central nervous system depressant (CNS depressant) activities of Aclidinium.
Interactions
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Food Interactions
Not Available

Products

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Categories

ATC Codes
C02KD01 — Ketanserin
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
Kingdom
Organic compounds
Super Class
Organic oxygen compounds
Class
Organooxygen compounds
Sub Class
Carbonyl compounds
Direct Parent
Alkyl-phenylketones
Alternative Parents
Quinazolines / Aryl alkyl ketones / Benzoyl derivatives / Pyrimidones / Fluorobenzenes / Hydroxypyrimidines / Gamma-amino ketones / Aryl fluorides / Piperidines / Heteroaromatic compounds
show 7 more
Substituents
Alkyl-phenylketone / Amine / Aromatic heteropolycyclic compound / Aryl alkyl ketone / Aryl fluoride / Aryl halide / Azacycle / Benzenoid / Benzoyl / Diazanaphthalene
show 21 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
piperidines, organofluorine compound, aromatic ketone, quinazolines (CHEBI:6123)
Affected organisms
Not Available

Chemical Identifiers

UNII
97F9DE4CT4
CAS number
74050-98-9
InChI Key
FPCCSQOGAWCVBH-UHFFFAOYSA-N
InChI
InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
IUPAC Name
3-{2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl}-1,2,3,4-tetrahydroquinazoline-2,4-dione
SMILES
FC1=CC=C(C=C1)C(=O)C1CCN(CCN2C(=O)NC3=CC=CC=C3C2=O)CC1

References

General References
Not Available
KEGG Compound
C07464
PubChem Compound
3822
PubChem Substance
347828704
ChemSpider
3690
BindingDB
21395
RxNav
6131
ChEBI
6123
ChEMBL
CHEMBL51
ZINC
ZINC000000537877
Wikipedia
Ketanserin

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
4Unknown StatusTreatmentCritically Ill Patients1
3CompletedTreatmentSeptic Shock / Severe Sepsis1
3TerminatedPreventionAcute Renal Failure (ARF)1
1RecruitingBasic ScienceBasic Science1
1RecruitingBasic ScienceHealthy Subjects (HS)2
1, 2CompletedTreatmentDiabetic Foot Ulcers (DFUs)1
Not AvailableCompletedBasic ScienceHealthy Subjects (HS)1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Tablet, coated
Tablet
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.156 mg/mLALOGPS
logP2.92ALOGPS
logP3.61ChemAxon
logS-3.4ALOGPS
pKa (Strongest Acidic)11.42ChemAxon
pKa (Strongest Basic)7.29ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area69.72 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity109.11 m3·mol-1ChemAxon
Polarizability39.89 Å3ChemAxon
Number of Rings4ChemAxon
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 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

Targets

Drugtargets2
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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]

Drug created on October 20, 2016 22:29 / Updated on February 21, 2021 18:53