Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 2Z03364G96

Structure

InChI Key LQFRYKBDZNPJSW-UHFFFAOYSA-N
Smile 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
Hydrogen Bond Donor 0.0
Number of Rotational Bond 2.0
Polar Surface Area 57.93
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 8.0

Pharmacology

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Severe Acute Respiratory Syndrome 2 D045169 ClinicalTrials
Schnitzler Syndrome 2 D019873 ClinicalTrials
Heart Failure, Systolic 1 D054143 ClinicalTrials
Melanoma 1 D008545 ClinicalTrials

Cross References

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