Structure

InChI Key HJLSLZFTEKNLFI-UHFFFAOYSA-N
Smiles CCS(=O)(=O)CCn1c([N+](=O)[O-])cnc1C
InChI
InChI=1S/C8H13N3O4S/c1-3-16(14,15)5-4-10-7(2)9-6-8(10)11(12)13/h6H,3-5H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H13N3O4S
Molecular Weight 247.28
AlogP 0.53
Hydrogen Bond Acceptor 6.0
Number of Rotational Bond 5.0
Polar Surface Area 95.1
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 16.0

Pharmacology

Mechanism of Action Action Reference
DNA inhibitor INHIBITOR DailyMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 87.04-99.37
Giardia intestinalis
- 300-300 - - -
Homo sapiens
- - - - 14.2

Related Entries

Cross References

Resources Reference
ChEBI 63627
ChEMBL CHEMBL1220
DrugBank DB00911
DrugCentral 2671
FDA SRS 033KF7V46H
Human Metabolome Database HMDB0015047
PharmGKB PA10813
PubChem 5479
SureChEMBL SCHEMBL21141
ZINC ZINC000000113446