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
Structure for Ketanserin (DB12465)
- Weight
- Average: 395.434
Monoisotopic: 395.164519743 - Chemical Formula
- C22H22FN3O3
- Synonyms
- Ketanserin
- ketanserina
- External IDs
- R-41,468
- R-41468
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism U5-hydroxytryptamine receptor 2A inverse agonistHumans - 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
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
- Not Available
Interactions
- Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
- 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.
Drug Interaction Integrate drug-drug
interactions in your softwareAbrocitinib The risk or severity of bleeding and thrombocytopenia can be increased when Ketanserin is combined with Abrocitinib. Avanafil Ketanserin may increase the hypotensive activities of Avanafil. Baclofen Baclofen may increase the central nervous system depressant (CNS depressant) activities of Ketanserin. Bendroflumethiazide The therapeutic efficacy of Ketanserin can be increased when used in combination with Bendroflumethiazide. Benzthiazide The therapeutic efficacy of Ketanserin can be increased when used in combination with Benzthiazide. - Food Interactions
- Not Available
Products
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Categories
- ATC Codes
- C02KD01 — Ketanserin
- Drug Categories
- Antidepressive Agents
- Antihypertensive Agents
- Antiplatelet agents
- Cardiovascular Agents
- Central Nervous System Depressants
- Hematologic Agents
- Heterocyclic Compounds, Fused-Ring
- Neurotransmitter Agents
- Piperidines
- Quinazolines
- Quinazolinones
- Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome
- Serotonin Agents
- Serotonin Receptor Antagonists
- 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
- External Links
- PDB Entries
- 8jt9
Clinical Trials
- Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
Phase Status Purpose Conditions Count 4 Unknown Status Treatment Critically Ill Patients 1 3 Completed Treatment Septic Shock / Severe Sepsis 1 3 Terminated Prevention Acute Renal Failure (ARF) 1 1 Completed Basic Science Healthy Subjects (HS) 2 1 Recruiting Basic Science Basic Science 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Tablet 40 MG Tablet, coated Gel Topical 2.000 g Tablet Insert Vaginal - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.156 mg/mL ALOGPS logP 2.92 ALOGPS logP 3.61 Chemaxon logS -3.4 ALOGPS pKa (Strongest Acidic) 11.42 Chemaxon pKa (Strongest Basic) 7.29 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 69.72 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 109.11 m3·mol-1 Chemaxon Polarizability 39.89 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0002-0009000000-8ffb15583c08101b8a6b Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0007-0009000000-66b931a98aa01c56f02e Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-000b-0918000000-98d833ec1edbdbf39d08 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-0129000000-14c0b05eddc7ff5d86a8 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0077-1901000000-df16df62a2ee1735d7f1 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0007-5945000000-4b4999e7bb71e3111070 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 191.1775 predictedDeepCCS 1.0 (2019) [M+H]+ 193.5355 predictedDeepCCS 1.0 (2019) [M+Na]+ 200.42613 predictedDeepCCS 1.0 (2019)
Targets
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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
- 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 at October 20, 2016 22:29 / Updated at February 21, 2021 18:53