NAV

Dapansutrile

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

Identification

Name
Dapansutrile
Accession Number
DB16130
Description

Dapansutrile is under investigation in clinical trial NCT01768975 (Phase 2 Efficacy Trial of OLT1177 Gel in Subjects With Moderate to Severe Pain Associated With OA of the Knee).

Type
Small Molecule
Groups
Investigational
Structure
Thumb
3D
Similar Structures
Weight
Average: 133.17
Monoisotopic: 133.019749643
Chemical Formula
C4H7NO2S
Synonyms
  • Dapansutrile
External IDs
  • OLT-1177
  • OLT1177

Pharmacology

Pharmacology
Accelerate your drug discovery research with the industry’s only fully connected ADMET dataset, ideal for:
Machine Learning
Data Science
Drug Discovery
Accelerate your drug discovery research with our fully connected ADMET dataset
Learn more
Indication
Not Available
Contraindications & Blackbox Warnings
Contraindications
Contraindications & Blackbox Warnings
With our commercial data, access important information on dangerous risks, contraindications, and adverse effects.
Learn more
Our Blackbox Warnings cover Risks, Contraindications, and Adverse Effects
Learn more
Pharmacodynamics
Not Available
Mechanism of action

Dapansutrile specifically inhibits the NLRP3 inflammasome and subsequent activation of IL-1β. It is currently being investigated against gout flares, joint pain and COVID-19.1

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
Medicalerrors
Reduce medical errors
and improve treatment outcomes with our comprehensive & structured data on drug adverse effects.
Learn more
Reduce medical errors & improve treatment outcomes with our adverse effects data
Learn more
Toxicity
Not Available
Affected organisms
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

Chemical Identifiers

UNII
2Z03364G96
CAS number
54863-37-5
InChI Key
LQFRYKBDZNPJSW-UHFFFAOYSA-N
InChI
InChI=1S/C4H7NO2S/c1-8(6,7)4-2-3-5/h2,4H2,1H3
IUPAC Name
3-methanesulfonylpropanenitrile
SMILES
CS(=O)(=O)CCC#N

References

General References
  1. Kluck V, Jansen TLTA, Janssen M, Comarniceanu A, Efde M, Tengesdal IW, Schraa K, Cleophas MCP, Scribner CL, Skouras DB, Marchetti C, Dinarello CA, Joosten LAB: Dapansutrile, an oral selective NLRP3 inflammasome inhibitor, for treatment of gout flares: an open-label, dose-adaptive, proof-of-concept, phase 2a trial. Lancet Rheumatol. 2020 May;2(5):e270-e280. doi: 10.1016/s2665-9913(20)30065-5. Epub 2020 Apr 8. [PubMed:33005902]
ChemSpider
14967771
ChEMBL
CHEMBL3989943
ZINC
ZINC000032005410
Wikipedia
Dapansutrile

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentOsteoarthritis (OA) / Pain1
2CompletedTreatmentOsteoarthritis of the Knee1
2RecruitingTreatmentCoronavirus Disease 2019 (COVID‑19) / Cytokine Release Syndrome1
2RecruitingTreatmentSchnitzler's Syndrome1
1CompletedBasic ScienceHealthy Volunteers1
1CompletedTreatmentHealthy Volunteers1
1CompletedTreatmentHeart Failure With Reduced Ejection Fraction (HFrEF)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
PropertyValueSource
Water Solubility22.8 mg/mLALOGPS
logP-1ALOGPS
logP-1.4ChemAxon
logS-0.77ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area57.93 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity30.21 m3·mol-1ChemAxon
Polarizability12.42 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

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