Dotinurad
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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
- Dotinurad
- DrugBank Accession Number
- DB16145
- Background
Dotinurad is under investigation in clinical trial NCT03372200 (Febuxostat-controlled, Double-blind, Comparative Study of FYU-981 in Hyperuricemia With or Without Gout).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 358.19
Monoisotopic: 356.9629343 - Chemical Formula
- C14H9Cl2NO4S
- Synonyms
- Dotinurad
- External IDs
- FYU-981
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
- 305EB53128
- CAS number
- 1285572-51-1
- InChI Key
- VOFLAIHEELWYGO-UHFFFAOYSA-N
- InChI
- InChI=1S/C14H9Cl2NO4S/c15-9-5-8(6-10(16)13(9)18)14(19)17-7-22(20,21)12-4-2-1-3-11(12)17/h1-6,18H,7H2
- IUPAC Name
- 3-(3,5-dichloro-4-hydroxybenzoyl)-2,3-dihydro-1lambda6,3-benzothiazole-1,1-dione
- SMILES
- OC1=C(Cl)C=C(C=C1Cl)C(=O)N1CS(=O)(=O)C2=CC=CC=C12
References
- General References
- Not Available
- External Links
- ChemSpider
- 59718651
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Completed Treatment Gout Flares 1 3 Completed Treatment Hyperuricemia With or Without Gout 3 2 Completed Basic Science Healthy Male Subjects 1 2 Completed Basic Science Healthy Volunteers (HV) 1 2 Completed Basic Science Hyperuricemia 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
Property Value Source Water Solubility 0.0395 mg/mL ALOGPS logP 2.96 ALOGPS logP 2.61 Chemaxon logS -4 ALOGPS pKa (Strongest Acidic) 5.65 Chemaxon pKa (Strongest Basic) -3.7 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 74.68 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 83.08 m3·mol-1 Chemaxon Polarizability 32.54 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 splash10-0a4i-0109000000-0e752d478ea730258bc1 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4i-0009000000-2f81fa9b805e2cecd5a5 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0a4i-0009000000-1c5726edf117f6b9439a Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4i-0009000000-062c8b449f9a78bf7fbf Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0gbi-1940000000-217c2886a56c9341113e Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-017i-6933000000-9c18ab3bf1171f86402d 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 18:13 / Updated at February 21, 2021 18:55