HYDROFLUMETHIAZIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (1959)
Entry Type: Small molecule
Molecule Category: Parent
ATC: C03AA02
UNII: 501CFL162R

Structure
InChI Key DMDGGSIALPNSEE-UHFFFAOYSA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR Thiazide-sensitive sodium-chloride cotransporter inhibitor DOI
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 82

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

MCS

Scaffolds

Mixture

Cross References

Resources Reference
CAS NUMBER 135-09-1
ChEBI 5784
ChEMBL CHEMBL1763
DrugBank DB00774
DrugCentral 1392
EPA CompTox DTXSID3023132
FDA SRS 501CFL162R
Human Metabolome Database HMDB0014912
Guide to Pharmacology 7197
KEGG C07763
PDB HFZ
PharmGKB PA164752557
PubChem 3647
SureChEMBL SCHEMBL27028
ZINC ZINC000000897225
CONTENTS