This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Dapansutrile
- DrugBank Accession Number
- DB16130
- Background
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
Structure for Dapansutrile (DB16130)
- Weight
- Average: 133.17
Monoisotopic: 133.019749643 - Chemical Formula
- C4H7NO2S
- Synonyms
- Dapansutrile
- External IDs
- OLT-1177
- OLT1177
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- 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
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.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
- 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
- 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. [Article]
- External Links
- ChemSpider
- 14967771
- ChEMBL
- CHEMBL3989943
- ZINC
- ZINC000032005410
- Wikipedia
- Dapansutrile
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Osteoarthritis (OA) / Pain 1 2 Completed Treatment Osteoarthritis of the Knee 1 2 Recruiting Treatment Coronavirus Disease 2019 (COVID‑19) / Cytokine Release Syndrome 1 2 Recruiting Treatment Schnitzler's Syndrome 1 1 Completed Basic Science Healthy Subjects (HS) 1 1 Completed Treatment Healthy Subjects (HS) 1 1 Completed Treatment Hearth Failure With Reduced Ejection Fraction (HFrEF) 1 1, 2 Recruiting Treatment Melanoma 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 22.8 mg/mL ALOGPS logP -1 ALOGPS logP -1.4 Chemaxon logS -0.77 ALOGPS Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 57.93 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 30.21 m3·mol-1 Chemaxon Polarizability 12.42 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Not Available
Drug created at December 15, 2020 18:13 / Updated at February 21, 2021 18:55