dapansutrile   Click here for help

GtoPdb Ligand ID: 10056

Synonyms: OLT-1177 | OLT1177
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: Dapansutrile (OLT1177) acts as a NLRP3 inflammasome inhibitor. It is a clinical candidate that is being developed by Olatec Therapeutics. Inhibition of the NLRP3 inflammasome reduces maturation of the pro-inflammatory, disease-associated cytokines IL-1β and IL-18 [3]. Immunoprecipitation and FRET analysis indicates that OLT1177 inhibits inflammasome oligomerization by blocking NLRP3-ASC, and NLRP3-caspase-1 interaction, but may also directly target NLRP3 (as assessed by inhibition of recombinant NLRP3 ATPase activity by dapansutrile) [3].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 66.31
Molecular weight 133.02
XLogP -0.32
No. Lipinski's rules broken 0
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Canonical SMILES N#CCCS(=O)(=O)C
Isomeric SMILES N#CCCS(=O)(=O)C
InChI InChI=1S/C4H7NO2S/c1-8(6,7)4-2-3-5/h2,4H2,1H3
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
10228 dapansutrile
Synonyms Click here for help
OLT-1177 | OLT1177
Database Links Click here for help
CAS Registry No. 54863-37-5 (source: WHO INN record)
ChEMBL Ligand CHEMBL3989943
GtoPdb PubChem SID 375973244
PubChem CID 12714644
Search Google for chemical match using the InChIKey LQFRYKBDZNPJSW-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey LQFRYKBDZNPJSW-UHFFFAOYSA-N
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Dapansutrile (links to external site)
Cat. No. 6902