Structure

InChI Key SKIVFJLNDNKQPD-UHFFFAOYSA-N
Smiles CC(=O)NS(=O)(=O)c1ccc(N)cc1
InChI
InChI=1S/C8H10N2O3S/c1-6(11)10-14(12,13)8-4-2-7(9)3-5-8/h2-5H,9H2,1H3,(H,10,11)

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H10N2O3S
Molecular Weight 214.25
AlogP 0.09
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 89.26
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 14.0

Pharmacology

Mechanism of Action Action Reference
Bacterial dihydropteroate synthase inhibitor INHIBITOR KEGG PubMed PubMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - - 80

Related Entries

Cross References

Resources Reference
ChEBI 63845
ChEMBL CHEMBL455
DrugBank DB00634
DrugCentral 2497
FDA SRS 4965G3J0F5
Human Metabolome Database HMDB0014772
PharmGKB PA451536
PubChem 5320
SureChEMBL SCHEMBL40863
ZINC ZINC000005179119