Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: MA3UYZ6K1H

Structure

InChI Key YGCFIWIQZPHFLU-UHFFFAOYSA-N
Smile CC1=CC(=O)NS(=O)(=O)O1
InChI
InChI=1S/C4H5NO4S/c1-3-2-4(6)5-10(7,8)9-3/h2H,1H3,(H,5,6)

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H5NO4S
Molecular Weight 163.15
AlogP -0.72
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 0.0
Polar Surface Area 72.47
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 10.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Lyase
- - - 2400 -

Cross References

Resources Reference
ChEBI 83501
ChEMBL CHEMBL176687
EPA CompTox DTXSID0048006
FDA SRS MA3UYZ6K1H
Human Metabolome Database HMDB0033585
PDB AUD
PubChem 36573
SureChEMBL SCHEMBL3551
ZINC ZINC000002009976