NAV

Troriluzole

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

Identification

Generic Name
Troriluzole
DrugBank Accession Number
DB15079
Background

Troriluzole is under investigation in clinical trial NCT03701399 (Troriluzole in Adult Subjects With Spinocerebellar Ataxia).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 419.38
Monoisotopic: 419.087509678
Chemical Formula
C15H16F3N5O4S
Synonyms
  • Troriluzole
External IDs
  • BHV 4157
  • BHV-4157
  • BHV4157
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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
Troriluzole hydrochlorideBQ5F77DZS31926204-76-3ZRZLEMQBDKNTLJ-UHFFFAOYSA-N

Categories

Drug Categories
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
S7H48S6K7H
CAS number
1926203-09-9
InChI Key
YBZSGIWIPOUSHY-UHFFFAOYSA-N
InChI
InChI=1S/C15H16F3N5O4S/c1-23(13(26)6-20-11(24)5-19)7-12(25)22-14-21-9-3-2-8(4-10(9)28-14)27-15(16,17)18/h2-4H,5-7,19H2,1H3,(H,20,24)(H,21,22,25)
IUPAC Name
2-amino-N-{[methyl({[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]carbamoyl}methyl)carbamoyl]methyl}acetamide
SMILES
CN(CC(=O)NC1=NC2=C(S1)C=C(OC(F)(F)F)C=C2)C(=O)CNC(=O)CN

References

General References
Not Available
ChemSpider
58828005
ChEMBL
CHEMBL4297586

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3Active Not RecruitingTreatmentMSA-C / Spinocerebellar Ataxia / Spinocerebellar Ataxia 3 / Spinocerebellar Ataxia Type 1 / Spinocerebellar Ataxia Type 6 / Spinocerebellar Ataxias Type 21
3Active Not RecruitingTreatmentSpinocerebellar Ataxia / Spinocerebellar Ataxia 3 / Spinocerebellar Ataxia Type 1 / Spinocerebellar Ataxia Type 10 / Spinocerebellar Ataxia Type 6 / Spinocerebellar Ataxia Type 7 / Spinocerebellar Ataxia Type 8 / Spinocerebellar Ataxias Type 21
3CompletedTreatmentGeneralized Anxiety Disorder1
3Enrolling by InvitationTreatmentObsessive Compulsive Disorder (OCD)1
3RecruitingTreatmentObsessive Compulsive Disorder (OCD)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
PropertyValueSource
Water Solubility0.0108 mg/mLALOGPS
logP0.91ALOGPS
logP-0.042Chemaxon
logS-4.6ALOGPS
pKa (Strongest Acidic)7.5Chemaxon
pKa (Strongest Basic)8.11Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area126.65 Å2Chemaxon
Rotatable Bond Count8Chemaxon
Refractivity88.4 m3·mol-1Chemaxon
Polarizability37.38 Å3Chemaxon
Number of Rings2Chemaxon
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, Positive (Annotated)Predicted LC-MS/MSsplash10-01vk-0009200000-b3b92a882867852a3a57
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-06si-2039000000-322dc83cc5339905e466
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4r-0049000000-687221315fa1ced876e3
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-052f-9032000000-a431631cf33b381c762a
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-03g0-1191000000-87c7154d0c86a487c53c
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-052f-5790000000-393cd718ce27bb6a3437
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 14:47 / Updated at September 28, 2023 05:47