Synonyms
Status
Molecule Category Free-form
UNII 2Z03364G96

Structure

InChI Key LQFRYKBDZNPJSW-UHFFFAOYSA-N
Smiles CS(=O)(=O)CCC#N
InChI
InChI=1S/C4H7NO2S/c1-8(6,7)4-2-3-5/h2,4H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H7NO2S
Molecular Weight 133.17
AlogP -0.06
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 57.93
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 8.0

Pharmacology

Mechanism of Action Action Reference
NACHT, LRR and PYD domains-containing protein 3 inhibitor INHIBITOR PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Unclassified protein
- 1-100 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Mus musculus
- 1-100 - - -

Cross References

Resources Reference
ChEMBL CHEMBL3989943
DrugBank DB16130
FDA SRS 2Z03364G96
Guide to Pharmacology 10056
PubChem 12714644
SureChEMBL SCHEMBL9934796
ZINC ZINC000032005410