Structure

InChI Key ACTRVOBWPAIOHC-XIXRPRMCSA-N
Smiles O=C(O)[C@@H](S)[C@@H](S)C(=O)O
InChI
InChI=1S/C4H6O4S2/c5-3(6)1(9)2(10)4(7)8/h1-2,9-10H,(H,5,6)(H,7,8)/t1-,2+

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H6O4S2
Molecular Weight 182.22
AlogP -0.25
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 3.0
Polar Surface Area 74.6
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 10.0

Pharmacology

Mechanism of Action Action Reference
Lead chelating agent CHELATING AGENT FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Unclassified protein
- - - - 69-100
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Escherichia coli
- - - - 69-100

Cross References

Resources Reference
ChEBI 63623
ChEMBL CHEMBL1201073
DrugBank DB00566
DrugCentral 2486
FDA SRS DX1U2629QE
PubChem 2724354
SureChEMBL SCHEMBL14941
ZINC ZINC000003831475