Structure

InChI Key XOAAWQZATWQOTB-UHFFFAOYSA-N
Smiles NCCS(=O)(=O)O
InChI
InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H7NO3S
Molecular Weight 125.15
AlogP -1.17
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 80.39
Molecular species ZWITTERION
Aromatic Rings 0.0
Heavy Atoms 7.0
Assay Description Organism Bioactivity Reference
Inhibition of Plasmodium falciparum FabI Plasmodium falciparum 100.0 ug.mL-1
Antimalarial activity against chloroquine-resistant, pyrimethamine-resistant Plasmodium falciparum K1 after 48 hrs Plasmodium falciparum 50.0 ug.mL-1
Antitrypanosomal activity against Trypanosoma brucei rhodesiense after 72 hrs by Alamar blue assay Trypanosoma brucei rhodesiense 83.4 ug.mL-1
Antitrypanosomal activity against Trypanosoma cruzi after 72 hrs Trypanosoma cruzi 30.0 ug.mL-1
Antileishmanial activity against Leishmania donovani after 72 hrs by Alamar blue assay Leishmania donovani 30.0 ug.mL-1
Cytotoxicity against rat L6 cells after 72 hrs Rattus norvegicus 90.0 ug.mL-1
Inhibition of nitrogen-starved wild type sigma1278b yeast Gap1-mediated amino acid uptake at 5 mM after 60 secs relative to L-citrulline Saccharomyces cerevisiae 15.0 %
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Caco-2 cells at 10 uM after 48 hours by high content imaging Homo sapiens 1.2 %
SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response from peptide substrate Severe acute respiratory syndrome coronavirus 2 3.739 %
Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging Chlorocebus sabaeus -0.03 % Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VERO-6 cells at 10 uM after 48 hours exposure to 0.01 MOI SARS CoV-2 virus by high content imaging Chlorocebus sabaeus -0.03 %

Cross References

Resources Reference
ChEBI 507393
ChEMBL CHEMBL239243
DrugBank DB01956
DrugCentral 4486
FDA SRS 1EQV5MLY3D
Human Metabolome Database HMDB0000251
Guide to Pharmacology 2379
KEGG C00245
PDB TAU
PubChem 1123
SureChEMBL SCHEMBL23068
ZINC ZINC000003809490