Molecule Details
| InChIKey | ZZUFCTLCJUWOSV-UHFFFAOYSA-N |
|---|---|
| Compound Name | Furosemide |
| Canonical SMILES | NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 11 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.7 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00695 |
|---|---|
| Drug Name | Furosemide |
| CAS Number | 54-31-9 |
| Groups | approved investigational vet_approved |
| ATC Codes | C03EB01 C03CA01 G01AE10 C03CB01 |
| Description | Furosemide is a potent loop diuretic that acts on the kidneys to ultimately increase water loss from the body. It is an anthranilic acid derivative.[L7958] Furosemide is used for edema secondary to various clinical conditions, such as congestive heart failure exacerbation, liver failure, renal failu... |
Categories: Acids, Carbocyclic Amides Amines Aminobenzoates Aniline Compounds Antihypertensive Agents Antihypertensive Agents Indicated for Hypertension Benzene Derivatives Benzoates Cardiovascular Agents Diuretics Drugs causing inadvertant photosensitivity Drugs that are Mainly Renally Excreted 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 Ototoxic agents Photosensitizing Agents Sodium Potassium Chloride Symporter Inhibitors Sulfanilamides Sulfonamides Sulfones Sulfur Compounds Thyroxine-binding globulin substrates UGT1A1 Substrates
Cross-references: BindingDB: 25902 ChEBI: 47426 CHEMBL35 ChemSpider: 3322 Drugs Product Database (DPD): 10091 C07017 D00331 PDB: FUN PharmGKB: PA449719 PubChem:3440 PubChem:46506779 RxCUI: 4603 Therapeutic Targets Database: DAP000043 Wikipedia: Furosemide ZINC: ZINC000000035804
Target Activities (11)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9ULX7 | CA14 | Homo sapiens | Human | PF00194 | 7.3 | Ki | ChEMBL;BindingDB |
| P00918 | CA2 | Homo sapiens | Human | PF00194 | 7.2 | Ki | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 7.2 | pIC50 | TTD_MultiTarget |
| P00915 | CA1 | Homo sapiens | Human | PF00194 | 7.2 | IC50 | ChEMBL;BindingDB |
| P23280 | CA6 | Homo sapiens | Human | PF00194 | 6.6 | Ki | ChEMBL;BindingDB |
| O43570 | CA12 | Homo sapiens | Human | PF00194 | 6.6 | Ki | ChEMBL;BindingDB |
| Q9Y2D0 | CA5B | Homo sapiens | Human | PF00194 | 6.5 | Ki | ChEMBL;BindingDB |
| Q16790 | CA9 | Homo sapiens | Human | PF00194 | 6.4 | Ki | ChEMBL;BindingDB |
| P35218 | CA5A | Homo sapiens | Human | PF00194 | 6.3 | Ki | ChEMBL;BindingDB |
| P43166 | CA7 | Homo sapiens | Human | PF00194 | 6.3 | Ki | ChEMBL;BindingDB |
| P22748 | CA4 | Homo sapiens | Human | PF00194 | 6.2 | Ki | ChEMBL;BindingDB |
DrugBank Target Actions (14)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P02768 | ALB | Albumin | binder | carriers |
| P05543 | P05543 | Thyroxine-binding globulin | binder | carriers |
| P52209 | PGD | 6-phosphogluconate dehydrogenase, decarboxylating | inhibitor | enzymes |
| P22309 | UGT1A1 | UDP-glucuronosyltransferase 1A1 | substrate | enzymes |
| Q9HC97 | GPR35 | G-protein coupled receptor 35 | agonist | targets |
| P00918 | CA2 | Carbonic anhydrase 2 | inhibitor | targets |
| Q13621 | Q13621 | Solute carrier family 12 member 1 | inhibitor | targets |
| Q4U2R8 | SLC22A6 | Solute carrier family 22 member 6 | inducer | transporters |
| O76082 | O76082 | Organic cation/carnitine transporter 2 | inhibitor | transporters |
| Q4U2R8 | SLC22A6 | Solute carrier family 22 member 6 | inhibitor | transporters |
| Q8TCC7 | SLC22A8 | Organic anion transporter 3 | inhibitor | transporters |
| Q92887 | ABCC2 | ATP-binding cassette sub-family C member 2 | inhibitor | transporters |
| Q92959 | SLCO2A1 | Solute carrier organic anion transporter family member 2A1 | inhibitor | transporters |
| Q9NSA0 | SLC22A11 | Solute carrier family 22 member 11 | inhibitor | transporters |