Details of the Drug

General Information of Drug (ID: DM7IH48)

Drug Name
Dapansutrile
Synonyms
54863-37-5; OLT1177; UNII-2Z03364G96; 2Z03364G96; Dapansutrile [INN]; Dapansutrile [USAN:INN]; Dapansutrile (USAN/INN); 3-Methylsulfonylpropionitrile; 3-methanesulfonylpropanenitrile; 3-methylsulphonyl-propionitrile; SCHEMBL9934796; CHEMBL3989943; LQFRYKBDZNPJSW-UHFFFAOYSA-N; MolPort-008-545-498; ZINC32005410; Propanenitrile, 3-(methylsulfonyl)-; AKOS010140086; D10920; Z2719319073
Indication
Disease Entry ICD 11 Status REF
Acute gout flare FA25.0 Phase 2 [1]
Musculoskeletal pain MG30 Phase 2 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 133.17
Logarithm of the Partition Coefficient (xlogp) -0.7
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C4H7NO2S
IUPAC Name
3-methylsulfonylpropanenitrile
Canonical SMILES
CS(=O)(=O)CCC#N
InChI
InChI=1S/C4H7NO2S/c1-8(6,7)4-2-3-5/h2,4H2,1H3
InChIKey
LQFRYKBDZNPJSW-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
12714644
CAS Number
54863-37-5
UNII
2Z03364G96
DrugBank ID
DB16130
TTD ID
D0TH5H
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Caterpiller protein 1.1 (NLRP3) TT4EN8X NLRP3_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)