Luvadaxistat
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Luvadaxistat
- DrugBank Accession Number
- DB16067
- Background
Luvadaxistat is under investigation in clinical trial NCT03214588 (Efficacy, Tolerability, and Pharmacokinetics of Multiple Doses of Oral TAK-831 in Adults With Friedreich Ataxia).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 284.238
Monoisotopic: 284.077262091 - Chemical Formula
- C13H11F3N2O2
- Synonyms
- 3(2H)-PYRIDAZINONE, 4-HYDROXY-6-(2-(4-(TRIFLUOROMETHYL)PHENYL)ETHYL)-
- 4-HYDROXY-6-(2-(4-(TRIFLUOROMETHYL)PHENYL)ETHYL)-2,3-DIHYDROPYRIDAZIN-3-ONE
- External IDs
- TAK 831
- TAK-831
- TAK831
Pharmacology
- Indication
Not Available
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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
- 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
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 76IC00YRVR
- CAS number
- 1425511-32-5
- InChI Key
- QBQMUMMSYHUDFM-UHFFFAOYSA-N
- InChI
- InChI=1S/C13H11F3N2O2/c14-13(15,16)9-4-1-8(2-5-9)3-6-10-7-11(19)12(20)18-17-10/h1-2,4-5,7H,3,6H2,(H,17,19)(H,18,20)
- IUPAC Name
- 4-hydroxy-6-{2-[4-(trifluoromethyl)phenyl]ethyl}-2,3-dihydropyridazin-3-one
- SMILES
- OC1=CC(CCC2=CC=C(C=C2)C(F)(F)F)=NNC1=O
References
- General References
- Not Available
- External Links
- ChemSpider
- 29419992
- BindingDB
- 50431085
- ChEMBL
- CHEMBL2338801
- ZINC
- ZINC000095592350
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Other Schizophrenia 1 2 Completed Treatment Coronavirus Disease 2019 (COVID‑19) / Schizophrenia 1 2 Completed Treatment Friedreich's Ataxia 1 2 Recruiting Treatment Schizophrenia 1 1 Completed Other Healthy Volunteers (HV) 5
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 0.0425 mg/mL ALOGPS logP 2.41 ALOGPS logP 2.61 Chemaxon logS -3.8 ALOGPS pKa (Strongest Acidic) 7.89 Chemaxon pKa (Strongest Basic) -3.2 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 61.69 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 67.7 m3·mol-1 Chemaxon Polarizability 25.12 Å3 Chemaxon Number of Rings 2 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 splash10-000i-0090000000-9f738dba9ce9d6c26d67 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-0090000000-6a48f0ccb583756e3d1c Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-000b-0190000000-33a28252408c7d89ffef Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-01c4-1690000000-bfaa5518b99baeb0f28e Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0fdk-1930000000-5cad79d6f885c0bce666 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0005-4910000000-244dfda5ea10b7c8ac10 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at December 15, 2020 18:04 / Updated at July 18, 2023 22:58