This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Summary
Fenoverine is a phenothiazine based anti-spasmodic agent indicated in the treatment of irritable bowel syndrome.
- Generic Name
- Fenoverine
- DrugBank Accession Number
- DB13042
- Background
Fenoverine has been used in trials studying the treatment of Irritable Bowel Syndrome.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Fenoverine (DB13042)
- Weight
- Average: 459.56
Monoisotopic: 459.161662851 - Chemical Formula
- C26H25N3O3S
- Synonyms
- Fenoverine
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.- Associated Conditions
Indication Type Indication Combined Product Details Approval Level Age Group Patient Characteristics Dose Form Symptomatic treatment of Irritable bowel syndrome (ibs) •••••••••••• •••••••• •••••• - 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
- 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
- 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
- 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.Not Available
- Food Interactions
- Not Available
Products
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Categories
- ATC Codes
- A03AX05 — Fenoverine
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as phenothiazines. These are polycyclic aromatic compounds containing a phenothiazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a para-thiazine ring.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Benzothiazines
- Sub Class
- Phenothiazines
- Direct Parent
- Phenothiazines
- Alternative Parents
- Diarylthioethers / Alpha amino acids and derivatives / N-piperazineacetamides / Benzodioxoles / Aralkylamines / N-alkylpiperazines / 1,4-thiazines / Benzenoids / Tertiary carboxylic acid amides / Trialkylamines show 7 more
- Substituents
- 1,4-diazinane / Acetal / Alpha-amino acid or derivatives / Amine / Amino acid or derivatives / Aralkylamine / Aromatic heteropolycyclic compound / Aryl thioether / Azacycle / Benzenoid show 22 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- N274ZQ6PZJ
- CAS number
- 37561-27-6
- InChI Key
- UBAJTZKNDCEGKL-UHFFFAOYSA-N
- InChI
- InChI=1S/C26H25N3O3S/c30-26(29-20-5-1-3-7-24(20)33-25-8-4-2-6-21(25)29)17-28-13-11-27(12-14-28)16-19-9-10-22-23(15-19)32-18-31-22/h1-10,15H,11-14,16-18H2
- IUPAC Name
- 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-1-(10H-phenothiazin-10-yl)ethan-1-one
- SMILES
- O=C(CN1CCN(CC2=CC3=C(OCO3)C=C2)CC1)N1C2=CC=CC=C2SC2=CC=CC=C12
References
- General References
- Vademecum: Spasmopriv Plus (fenoverine) oral capsules [Link]
- External Links
- PubChem Compound
- 72098
- PubChem Substance
- 347829174
- ChemSpider
- 65083
- 24855
- ChEBI
- 135744
- ChEMBL
- CHEMBL1512949
- ZINC
- ZINC000019899628
- Wikipedia
- Fenoverine
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 4 Completed Treatment Irritable Bowel Syndrome (IBS) 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Capsule, coated Oral 100 mg Capsule, coated Oral 200 mg Capsule, coated Oral 20000000 mg - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.0259 mg/mL ALOGPS logP 3.55 ALOGPS logP 4.03 Chemaxon logS -4.2 ALOGPS pKa (Strongest Acidic) 16.18 Chemaxon pKa (Strongest Basic) 6.64 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 45.25 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 130.3 m3·mol-1 Chemaxon Polarizability 49.49 Å3 Chemaxon Number of Rings 6 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No 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 splash10-03di-0050900000-a05949e0c210aafff614 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4i-0000900000-09e5c6f28a6df28a37f4 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-01qi-0410900000-41365e7b0c7597fa3871 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0a6r-0000900000-fe64997d1083423769dc Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-01q0-2643900000-1306bf6738fa576c8812 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0002-0932400000-e8fe9e03df6ca748cc88 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]- 225.5778057 predictedDarkChem Lite v0.1.0 [M-H]- 194.76146 predictedDeepCCS 1.0 (2019) [M+H]+ 226.1971057 predictedDarkChem Lite v0.1.0 [M+H]+ 197.11946 predictedDeepCCS 1.0 (2019) [M+Na]+ 203.52632 predictedDeepCCS 1.0 (2019)
Drug created at October 21, 2016 02:21 / Updated at June 12, 2021 10:55