This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Raxatrigine
- DrugBank Accession Number
- DB11706
- Background
Raxatrigine has been investigated for the treatment of Bipolar Disorder and Bipolar Depression.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Raxatrigine (DB11706)
- Weight
- Average: 314.36
Monoisotopic: 314.143056023 - Chemical Formula
- C18H19FN2O2
- Synonyms
- Not Available
- External IDs
- CNV-1014802
- CNV1014802
- GSK-1014802
- GSK1014802
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
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- 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.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
- ChEMBL
- CHEMBL3544913
- ZINC
- ZINC000034892269
- Wikipedia
- Vixotrigine
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Not Yet Recruiting Treatment Trigeminal Neuralgia (TN) 1 2 Completed Treatment Primary Inherited Erythromelalgia 1 2 Completed Treatment Radiculopathy, Lumbosacral Region 2 2 Completed Treatment Trigeminal Neuralgia (TN) 1 2 Terminated Treatment Neuropathic Pain From Lumbosacral Radiculopathy (PLSR) 1 1 Completed Other Healthy Subjects (HS) 2 1 Completed Treatment Bipolar Disorder (BD) 1 1 Completed Treatment Bipolar Disorder (BD) / Depression, Bipolar 1 1 Completed Treatment Healthy Subjects (HS) / Trigeminal Neuralgia (TN) 1 1 Completed Treatment Neuropathic Pain 2
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, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Drug created at October 20, 2016 20:41 / Updated at June 12, 2020 16:53