NAV

Vixotrigine

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

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
3D
Similar Structures
Weight
Average: 314.36
Monoisotopic: 314.143056023
Chemical Formula
C18H19FN2O2
Synonyms
  • Raxatrigine
  • Vixotrigine
External IDs
  • CNV-1014802
  • CNV1014802
  • GSK-1014802
  • GSK1014802
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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
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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.
Not Available
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Raxatrigine Hydrochloride7L3OLR4M8T934240-31-0HEPUBAGOKRIZEO-PPPUBMIESA-N
Raxatrigine MesylateJT4TDV7491934240-35-4ZSMXMVUVWUFIPK-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
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
PhaseStatusPurposeConditionsCount
3WithdrawnTreatmentTrigeminal Neuralgia (TN)1
2CompletedTreatmentPrimary Inherited Erythromelalgia1
2CompletedTreatmentRadiculopathy, Lumbosacral Region2
2CompletedTreatmentTrigeminal Neuralgia (TN)1
2TerminatedTreatmentNeuropathic Pain From Lumbosacral Radiculopathy (PLSR)1

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
PropertyValueSource
Water Solubility0.0142 mg/mLALOGPS
logP2.43ALOGPS
logP2.59Chemaxon
logS-4.4ALOGPS
pKa (Strongest Acidic)15.69Chemaxon
pKa (Strongest Basic)8.84Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area64.35 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity85.46 m3·mol-1Chemaxon
Polarizability33.02 Å3Chemaxon
Number of Rings3Chemaxon
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, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-0159000000-0c8c58da13ad19c50fae
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-0019000000-24b67960db315d46340a
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0fr2-0094000000-7cb6636b0085c07a68ad
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0296-9421000000-f6ceb7eaa3e0ec8c8c9d
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4l-2961000000-2ce36162c7b77836b7a4
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-01ox-6930000000-27ab3636718f71faf51c
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-169.48329
predicted
DeepCCS 1.0 (2019)
[M+H]+171.8413
predicted
DeepCCS 1.0 (2019)
[M+Na]+178.8238
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 20:41 / Updated at September 07, 2023 18:09