Dapansutrile
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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
- 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
- Weight
- Average: 133.17
Monoisotopic: 133.019749643 - Chemical Formula
- C4H7NO2S
- Synonyms
- Dapansutrile
- External IDs
- OLT-1177
- OLT1177
Pharmacology
- Indication
Not Available
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- 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. 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
- 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 Not Yet Recruiting Treatment Type 2 Diabetes Mellitus 1 2 Terminated Treatment Coronavirus Disease 2019 (COVID‑19) / Cytokine Release Syndrome 1 2 Terminated Treatment Schnitzler's Syndrome 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
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-003r-7900000000-0cde96327eb595169f6e Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-9000000000-d216b4c2331c26694515 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-9000000000-39d7685b7124ad6ad5e5 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0f6x-9000000000-bae11731c1bf3001e92c Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-9000000000-a904e48b90d412d82d71 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-03di-9000000000-5551f59e8880e21aee09 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