TORSEMIDE

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Trade Names
Synonyms
Status
Molecule Category Free-form
UNII W31X2H97FB
EPA CompTox DTXSID2023690

Structure

InChI Key NGBFQHCMQULJNZ-UHFFFAOYSA-N
Smiles Cc1cccc(Nc2ccncc2S(=O)(=O)NC(=O)NC(C)C)c1
InChI
InChI=1S/C16H20N4O3S/c1-11(2)18-16(21)20-24(22,23)15-10-17-8-7-14(15)19-13-6-4-5-12(3)9-13/h4-11H,1-3H3,(H,17,19)(H2,18,20,21)

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H20N4O3S
Molecular Weight 348.43
AlogP 2.53
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 100.19
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 24.0

Pharmacology

Mechanism of Action Action Reference
Sodium-(potassium)-chloride cotransporter 2 inhibitor INHIBITOR DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- - - - 14
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 73.29-73.9
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 73.29-73.9

Cross References

Resources Reference
ChEBI 9637
ChEMBL CHEMBL1148
DrugBank DB00214
DrugCentral 2708
FDA SRS W31X2H97FB
Human Metabolome Database HMDB0014359
Guide to Pharmacology 7312
PharmGKB PA451733
PubChem 41781
SureChEMBL SCHEMBL41184
ZINC ZINC000000005823
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