FUROSEMIDE

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC C03CA01
UNII 7LXU5N7ZO5
EPA CompTox DTXSID6020648

Structure

InChI Key ZZUFCTLCJUWOSV-UHFFFAOYSA-N
Smiles NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl
InChI
InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19)

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H11ClN2O5S
Molecular Weight 330.75
AlogP 1.89
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 122.63
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 21.0

Pharmacology

Mechanism of Action Action Reference
Sodium-(potassium)-chloride cotransporter 2 inhibitor INHIBITOR DOI DailyMed Wikipedia Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Lyase
- - - 52-564 -
Enzyme Oxidoreductase
- - - - 21-36
Membrane receptor
- - - - 8.56
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 22.3-90.27
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 11.7
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC47 family of multidrug and toxin extrusion transporters
- - - - 7
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Canis lupus familiaris
- - - - 100
Cricetulus griseus
- - - - 86.58-90.27
Homo sapiens
- - - 52-564 7-36
Mus musculus
- - - 550 30
Rattus norvegicus
- - - - -36--30

Environmental Exposure

Environmental Exposure Map
Countries
Croatia
Czech Republic
Hungary
Romania
Serbia
Slovakia
Slovenia

Cross References

Resources Reference
ChEBI 47426
ChEMBL CHEMBL35
DrugBank DB00695
DrugCentral 1258
FDA SRS 7LXU5N7ZO5
Human Metabolome Database HMDB0001933
Guide to Pharmacology 4839
KEGG C07017
PDB FUN
PharmGKB PA449719
PubChem 3440
SureChEMBL SCHEMBL9811
ZINC ZINC000000035804
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