Structure

InChI Key VACCAVUAMIDAGB-UHFFFAOYSA-N
Smiles Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1
InChI
InChI=1S/C9H10N4O2S2/c1-6-11-12-9(16-6)13-17(14,15)8-4-2-7(10)3-5-8/h2-5H,10H2,1H3,(H,12,13)

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H10N4O2S2
Molecular Weight 270.34
AlogP 1.23
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 97.97
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 17.0

Pharmacology

Mechanism of Action Action Reference
Bacterial dihydropteroate synthase inhibitor INHIBITOR KEGG PubMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 89.01-100.62

Environmental Exposure

Countries
Bangladesch

Cross References

Resources Reference
ChEBI 9331
ChEMBL CHEMBL1191
DrugBank DB00576
DrugCentral 2512
FDA SRS 25W8454H16
Human Metabolome Database HMDB0014715
KEGG C08050
PharmGKB PA164781307
PubChem 5328
SureChEMBL SCHEMBL26453
ZINC ZINC000000057493