Structure

InChI Key DMDGGSIALPNSEE-UHFFFAOYSA-N
Smiles NS(=O)(=O)c1cc2c(cc1C(F)(F)F)NCNS2(=O)=O
InChI
InChI=1S/C8H8F3N3O4S2/c9-8(10,11)4-1-5-7(2-6(4)19(12,15)16)20(17,18)14-3-13-5/h1-2,13-14H,3H2,(H2,12,15,16)

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H8F3N3O4S2
Molecular Weight 331.3
AlogP 0.01
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 118.36
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 20.0

Pharmacology

Mechanism of Action Action Reference
Thiazide-sensitive sodium-chloride cotransporter inhibitor INHIBITOR DOI
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 82.22-85.97

Related Entries

Cross References

Resources Reference
ChEBI 5784
ChEMBL CHEMBL1763
DrugBank DB00774
DrugCentral 1392
FDA SRS 501CFL162R
Human Metabolome Database HMDB0014912
Guide to Pharmacology 7197
KEGG C07763
PDB HFZ
PharmGKB PA164752557
PubChem 3647
SureChEMBL SCHEMBL27028
ZINC ZINC000000897225