TORSEMIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (1993)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: W31X2H97FB

Structure
InChI Key NGBFQHCMQULJNZ-UHFFFAOYSA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR Sodium-(potassium)-chloride cotransporter 2 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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Heart Failure 4 D006333 ClinicalTrials
Pre-Eclampsia 2 D011225 ClinicalTrials
Diabetes Mellitus, Type 2 1 D003924 ClinicalTrials

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Cardiac disorders
12.0
General disorders and administration site conditions
11.12
Nervous system disorders
10.5
Vascular disorders
9.24
Metabolism and nutrition disorders
7.93
Gastrointestinal disorders
6.0
Renal and urinary disorders
5.87
Investigations
5.52
Injury, poisoning and procedural complications
5.12
Respiratory, thoracic and mediastinal disorders
3.99
Psychiatric disorders
3.91
Musculoskeletal and connective tissue disorders
3.72
Skin and subcutaneous tissue disorders
3.43
Infections and infestations
2.59

Cross References

Resources Reference
CAS NUMBER 56211-40-6
ChEBI 9637
ChEMBL CHEMBL1148
DrugBank DB00214
DrugCentral 2708
EPA CompTox DTXSID2023690
FDA SRS W31X2H97FB
Human Metabolome Database HMDB0014359
Guide to Pharmacology 7312
PharmGKB PA451733
PubChem 41781
SureChEMBL SCHEMBL41184
ZINC ZINC000000005823
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