NAV

Verinurad

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

Identification

Generic Name
Verinurad
DrugBank Accession Number
DB11873
Background

Verinurad has been used in trials studying the basic science and treatment of Gout, Gout and Hyperuricemia, and Gout and Asymptomatic Hyperuricemia.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 348.42
Monoisotopic: 348.093248937
Chemical Formula
C20H16N2O2S
Synonyms
  • Verinurad
External IDs
  • RDEA-3170
  • RDEA3170
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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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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.
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BendroflumethiazideThe therapeutic efficacy of Verinurad can be decreased when used in combination with Bendroflumethiazide.
BenzthiazideThe therapeutic efficacy of Verinurad can be decreased when used in combination with Benzthiazide.
ChlorothiazideThe therapeutic efficacy of Verinurad can be decreased when used in combination with Chlorothiazide.
CyclopenthiazideThe therapeutic efficacy of Verinurad can be decreased when used in combination with Cyclopenthiazide.
CyclothiazideThe therapeutic efficacy of Verinurad can be decreased when used in combination with Cyclothiazide.
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Naphthalenes
Sub Class
Not Available
Direct Parent
Naphthalenes
Alternative Parents
Alkylarylthioethers / Pyridines and derivatives / Heteroaromatic compounds / Sulfenyl compounds / Nitriles / Monocarboxylic acids and derivatives / Carboxylic acids / Azacyclic compounds / Organopnictogen compounds / Organic oxides
show 2 more
Substituents
Alkylarylthioether / Aromatic heteropolycyclic compound / Aryl thioether / Azacycle / Carbonitrile / Carbonyl group / Carboxylic acid / Carboxylic acid derivative / Heteroaromatic compound / Hydrocarbon derivative
show 14 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
12WJ62D047
CAS number
1352792-74-5
InChI Key
YYBOLPLTQDKXPM-UHFFFAOYSA-N
InChI
InChI=1S/C20H16N2O2S/c1-20(2,19(23)24)25-18-9-10-22-12-17(18)16-8-7-13(11-21)14-5-3-4-6-15(14)16/h3-10,12H,1-2H3,(H,23,24)
IUPAC Name
2-{[3-(4-cyanonaphthalen-1-yl)pyridin-4-yl]sulfanyl}-2-methylpropanoic acid
SMILES
CC(C)(SC1=CC=NC=C1C1=C2C=CC=CC2=C(C=C1)C#N)C(O)=O

References

General References
Not Available
PubChem Compound
54767229
PubChem Substance
347828210
ChemSpider
34501057
BindingDB
290431
ChEMBL
CHEMBL3707347
ZINC
ZINC000199107019

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
2CompletedTreatmentAlbuminuria / Hyperuricemia / Type 2 Diabetes Mellitus1
2CompletedTreatmentAsymptomatic Hyperuricemia1
2CompletedTreatmentChronic Kidney Disease (CKD)1
2CompletedTreatmentGout3
2CompletedTreatmentGout and Hyperuricemia1

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 Solubility0.00471 mg/mLALOGPS
logP4.4ALOGPS
logP3.12Chemaxon
logS-4.9ALOGPS
pKa (Strongest Acidic)3.59Chemaxon
pKa (Strongest Basic)4.8Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area73.98 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity99.41 m3·mol-1Chemaxon
Polarizability35.91 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 GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-03di-2179000000-8c608cd9e093aed44fc9
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udj-0009000000-0075fe8aaa1f97948b8b
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-0091000000-09977fdabe77df911835
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-0091000000-bc5cf2340f0985e9b64b
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-0190000000-fee97b6cb3089bdbbfaf
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-1092000000-041cae20554e23c03eaa
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-0490000000-033e0afc750cbe20a5b0
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]-178.27705
predicted
DeepCCS 1.0 (2019)
[M+H]+180.63506
predicted
DeepCCS 1.0 (2019)
[M+Na]+188.4653
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 20:56 / Updated at February 21, 2021 18:53