This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- Vixotrigine
- DrugBank Accession Number
- DB11706
- Background
Vixotrigine has been investigated for the treatment of Bipolar Disorder and Bipolar Depression.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Vixotrigine (DB11706)
- Weight
- Average: 314.36
Monoisotopic: 314.143056023 - Chemical Formula
- C18H19FN2O2
- Synonyms
- Raxatrigine
- Vixotrigine
- External IDs
- CNV-1014802
- CNV1014802
- GSK-1014802
- GSK1014802
Pharmacology
- Indication
Not Available
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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 ASodium channel protein type 9 subunit alpha inhibitorHumans - 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
Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.- Product Ingredients
Ingredient UNII CAS InChI Key Raxatrigine Hydrochloride 7L3OLR4M8T 934240-31-0 HEPUBAGOKRIZEO-PPPUBMIESA-N Raxatrigine Mesylate JT4TDV7491 934240-35-4 ZSMXMVUVWUFIPK-PPPUBMIESA-N
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as proline and derivatives. These are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Carboxylic acids and derivatives
- Sub Class
- Amino acids, peptides, and analogues
- Direct Parent
- Proline and derivatives
- Alternative Parents
- Alpha amino acid amides / Phenylpyrrolidines / Pyrrolidinecarboxamides / Phenoxy compounds / Phenol ethers / Alkyl aryl ethers / Aralkylamines / Fluorobenzenes / Aryl fluorides / Pyrroles show 7 more
- Substituents
- 2-phenylpyrrolidine / Alkyl aryl ether / Alpha-amino acid amide / Amine / Aralkylamine / Aromatic heteromonocyclic compound / Aryl fluoride / Aryl halide / Azacycle / Benzenoid show 25 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- QQS4J85K6Y
- CAS number
- 934240-30-9
- InChI Key
- JESCETIFNOFKEU-SJORKVTESA-N
- InChI
- InChI=1S/C18H19FN2O2/c19-15-4-2-1-3-13(15)11-23-14-7-5-12(6-8-14)16-9-10-17(21-16)18(20)22/h1-8,16-17,21H,9-11H2,(H2,20,22)/t16-,17+/m1/s1
- IUPAC Name
- (2S,5R)-5-{4-[(2-fluorophenyl)methoxy]phenyl}pyrrolidine-2-carboxamide
- SMILES
- NC(=O)[C@@H]1CC[C@@H](N1)C1=CC=C(OCC2=CC=CC=C2F)C=C1
References
- General References
- Not Available
- External Links
- PubChem Compound
- 16046068
- PubChem Substance
- 347828071
- ChemSpider
- 13174481
- BindingDB
- 50505255
- ChEMBL
- CHEMBL3544913
- ZINC
- ZINC000034892269
- PDBe Ligand
- TB4
- Wikipedia
- Vixotrigine
- PDB Entries
- 8i5y
Clinical Trials
- Clinical Trials
Clinical Trial & Rare Diseases Add-on Data Package
Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package Phase Status Purpose Conditions Count Start Date Why Stopped 100+ additional columns Unlock 175K+ rows when you subscribe.View sample data3 Withdrawn Treatment Trigeminal Neuralgia (TN) 1 somestatus stop reason just information to hide 2 Completed Treatment Primary Inherited Erythromelalgia 1 somestatus stop reason just information to hide 2 Completed Treatment Radiculopathy, Lumbosacral Region 2 somestatus stop reason just information to hide 2 Completed Treatment Trigeminal Neuralgia (TN) 1 somestatus stop reason just information to hide 2 Terminated Treatment Neuropathic Pain From Lumbosacral Radiculopathy (PLSR) 1 somestatus stop reason just information to hide
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
Property Value Source Water Solubility 0.0142 mg/mL ALOGPS logP 2.43 ALOGPS logP 2.59 Chemaxon logS -4.4 ALOGPS pKa (Strongest Acidic) 15.69 Chemaxon pKa (Strongest Basic) 8.84 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 64.35 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 85.46 m3·mol-1 Chemaxon Polarizability 33.02 Å3 Chemaxon Number of Rings 3 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, Negative (Annotated) Predicted LC-MS/MS splash10-03di-0159000000-0c8c58da13ad19c50fae Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-014i-0019000000-24b67960db315d46340a Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0fr2-0094000000-7cb6636b0085c07a68ad Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0296-9421000000-f6ceb7eaa3e0ec8c8c9d Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0a4l-2961000000-2ce36162c7b77836b7a4 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-01ox-6930000000-27ab3636718f71faf51c 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]- 169.48329 predictedDeepCCS 1.0 (2019) [M+H]+ 171.8413 predictedDeepCCS 1.0 (2019) [M+Na]+ 178.8238 predictedDeepCCS 1.0 (2019)
Targets
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- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Yes
- Actions
- Inhibitor
- General Function
- Mediates the voltage-dependent sodium ion permeability of excitable membranes. Assuming opened or closed conformations in response to the voltage difference across the membrane, the protein forms a sodium-selective channel through which Na(+) ions may pass in accordance with their electrochemical gradient (PubMed:15385606, PubMed:16988069, PubMed:17145499, PubMed:17167479, PubMed:19369487, PubMed:24311784, PubMed:25240195, PubMed:26680203, PubMed:7720699). It is a tetrodotoxin-sensitive Na(+) channel isoform (PubMed:7720699). Plays a role in pain mechanisms, especially in the development of inflammatory pain (PubMed:17145499, PubMed:17167479, PubMed:19369487, PubMed:24311784)
- Specific Function
- voltage-gated sodium channel activity
- Gene Name
- SCN9A
- Uniprot ID
- Q15858
- Uniprot Name
- Sodium channel protein type 9 subunit alpha
- Molecular Weight
- 226370.175 Da
References
- Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
Drug created at October 20, 2016 20:41 / Updated at August 27, 2024 19:15