Dotinurad

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
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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

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
ChemSpider
59718651

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedTreatmentGout Flares1
3CompletedTreatmentHyperuricemia With or Without Gout3
2CompletedBasic ScienceHealthy Male Subjects1
2CompletedBasic ScienceHealthy Volunteers (HV)1
2CompletedBasic ScienceHyperuricemia1

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 Solubility0.0395 mg/mLALOGPS
logP2.96ALOGPS
logP2.61Chemaxon
logS-4ALOGPS
pKa (Strongest Acidic)5.65Chemaxon
pKa (Strongest Basic)-3.7Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area74.68 Å2Chemaxon
Rotatable Bond Count1Chemaxon
Refractivity83.08 m3·mol-1Chemaxon
Polarizability32.54 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, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-0109000000-0e752d478ea730258bc1
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0009000000-2f81fa9b805e2cecd5a5
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-0009000000-1c5726edf117f6b9439a
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0009000000-062c8b449f9a78bf7fbf
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0gbi-1940000000-217c2886a56c9341113e
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-017i-6933000000-9c18ab3bf1171f86402d
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at December 15, 2020 18:13 / Updated at February 21, 2021 18:55