Molecule Details
| InChIKey | MAEIEVLCKWDQJH-UHFFFAOYSA-N |
|---|---|
| Compound Name | Bumetanide |
| Canonical SMILES | CCCCNc1cc(C(=O)O)cc(S(N)(=O)=O)c1Oc1ccccc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.94 |
| Source | BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00887 |
|---|---|
| Drug Name | Bumetanide |
| CAS Number | 28395-03-1 |
| Groups | approved investigational |
| ATC Codes | G01AE10 C03CB02 C03EB02 C03CA02 |
| Description | Bumetanide is a sulfamyl diuretic. |
Categories: Acids, Carbocyclic Agents Causing Muscle Toxicity Amides Aminobenzoates Benzene Derivatives Benzoates Cardiovascular Agents Diuretics Drugs causing inadvertant photosensitivity Drugs that are Mainly Renally Excreted Genito Urinary System and Sex Hormones Gynecological Antiinfectives and Antiseptics High-Ceiling Diuretics High-Ceiling Diuretics and Potassium-Sparing Agents Hyperglycemia-Associated Agents Hypotensive Agents Increased Diuresis at Loop of Henle Membrane Transport Modulators Natriuretic Agents Nephrotoxic agents Non Potassium Sparing Diuretics OAT1/SLC22A6 inhibitors OAT3/SLC22A8 Inhibitors OAT3/SLC22A8 Substrates Photosensitizing Agents Sodium Potassium Chloride Symporter Inhibitors Sulfonamides Sulfones Sulfur Compounds meta-Aminobenzoates
Cross-references: BindingDB: 25903 ChEBI: 3213 CHEMBL1072 ChemSpider: 2377 Drugs Product Database (DPD): 1374 D00247 PDB: 82U PharmGKB: PA448682 PubChem:2471 PubChem:46508147 RxCUI: 1808 Therapeutic Targets Database: DAP000361 Wikipedia: Bumetanide ZINC: ZINC000003813061
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O43570 | CA12 | Homo sapiens | Human | PF00194 | 7.7 | Ki | BindingDB |
| Q16790 | CA9 | Homo sapiens | Human | PF00194 | 7.6 | Ki | BindingDB |
| P43166 | CA7 | Homo sapiens | Human | PF00194 | 7.2 | Ki | BindingDB |
| Q9Y2D0 | CA5B | Homo sapiens | Human | PF00194 | 6.8 | Ki | BindingDB |
| Q9ULX7 | CA14 | Homo sapiens | Human | PF00194 | 6.6 | Ki | BindingDB |
| P22748 | CA4 | Homo sapiens | Human | PF00194 | 6.5 | Ki | BindingDB |
| P35218 | CA5A | Homo sapiens | Human | PF00194 | 6.2 | Ki | BindingDB |
DrugBank Target Actions (14)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P35354 | PTGS2 | Prostaglandin G/H synthase 2 | inducer | enzymes |
| P13569 | CFTR | Cystic fibrosis transmembrane conductance regulator | antagonist | targets |
| P55011 | SLC12A2 | Solute carrier family 12 member 2 | inhibitor | targets |
| Q13621 | Q13621 | Solute carrier family 12 member 1 | inhibitor | targets |
| Q9H2X9 | SLC12A5 | Solute carrier family 12 member 5 | inhibitor | targets |
| Q9UP95 | Q9UP95 | Solute carrier family 12 member 4 | inhibitor | targets |
| Q14973 | SLC10A1 | Hepatic sodium/bile acid cotransporter | inhibitor | transporters |
| Q4U2R8 | SLC22A6 | Solute carrier family 22 member 6 | inhibitor | transporters |
| Q8TCC7 | SLC22A8 | Organic anion transporter 3 | inhibitor | transporters |
| Q9NSA0 | SLC22A11 | Solute carrier family 22 member 11 | inhibitor | transporters |
| Q9Y694 | Q9Y694 | Solute carrier family 22 member 7 | inhibitor | transporters |
| P46721 | P46721 | Solute carrier organic anion transporter family member 1A2 | substrate | transporters |
| Q14973 | SLC10A1 | Hepatic sodium/bile acid cotransporter | substrate | transporters |
| Q4U2R8 | SLC22A6 | Solute carrier family 22 member 6 | substrate | transporters |