Structure

InChI Key ZOBPZXTWZATXDG-UHFFFAOYSA-N
Smile O=C1CSC(=O)N1
InChI
InChI=1S/C3H3NO2S/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6)

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H3NO2S
Molecular Weight 117.13
AlogP -0.03
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 0.0
Polar Surface Area 46.17
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 7.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 540 - - -
Enzyme Kinase Protein Kinase CMGC protein kinase group CMGC protein kinase GSK family
- 100000 - - -
Enzyme
- 100000 - - -
Unclassified protein
- 540 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Diabetes Mellitus 3 D003920 ClinicalTrials
Diabetes Mellitus, Type 2 3 D003924 ClinicalTrials
Insulin Resistance 3 D007333 ClinicalTrials
Coronary Disease 3 D003327 ClinicalTrials
Diabetes Mellitus, Type 1 1 D003922 ClinicalTrials

Cross References

Resources Reference
ChEBI 50992
ChEMBL CHEMBL85398
DrugBank DB11898
EPA CompTox DTXSID5040623
FDA SRS AA68LXK93C
SureChEMBL SCHEMBL5043
ZINC ZINC000008554292