| Compound Information | SONAR Target prediction |
| Name: | FUROSEMIDE |
| Unique Identifier: | SPE01500310 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 319.658 g/mol |
| X log p: | 9.728 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 68.82 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 7 |
| Rotatable Bond Count: | 5 |
| Canonical Smiles: | NS(=O)(=O)c1cc(C(O)=O)c(NCc2occc2)cc1Cl |
| Source: | synthetic |
| Therapeutics: | diuretic, antihypertensive |
| Generic_name: | Furosemide |
| Chemical_iupac_name: | 4-chloro-2-(2-furylmethylamino)-5-sulfamoyl-benzoic acid |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA449719 |
| Kegg_compound_id: | C07017 |
| Drugbank_id: | APRD00608 |
| Melting_point: | 206 oC |
| H2o_solubility: | 0.006 mg/mL |
| Logp: | 1.514 |
| Cas_registry_number: | 54-31-9 |
| Drug_category: | Diuretics; ATC:C03CA01 |
| Indication: | For the treatment of edema associated with congestive heart failure, cirrhosis of the liver, and renal disease, including the nephrotic syndrome. Also for the treatment of hypertension alone or in combination with other antihypertensive agents. |
| Pharmacology: | Furosemide, a sulfonamide-type loop diuretic structurally related to bumetanide, is used to manage hypertension and edema associated with congestive heart failure, cirrhosis, and renal disease, including the nephrotic syndrome. |
| Mechanism_of_action: | Furosemide, by inhibiting the reabsorption of sodium and chloride in the ascending limb of the loop of Henle, increases the urinary excretion of sodium, chloride, and water. Furosemide also increases the excretion of potassium, hydrogen, calcium, magnesium, ammonium, and phosphate and, as it inhibits carbonic anhydrase, bicarbonate. |
| Organisms_affected: | Humans and other mammals |
| Found: 205 nonactive as graph: single | with analogs | [1] << Back 201 202 203 204 205 |
| Species: | 4932 |
| Condition: | YPT6 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.5156±0.0296985 |
| Normalized OD Score: sc h | 1.0315±0.029215 |
| Z-Score: | 0.2878±0.335474 |
| p-Value: | 0.779626 |
| Z-Factor: | -27.2223 |
| Fitness Defect: | 0.2489 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 5 |
| 3440 | 4-chloro-2-(2-furylmethylamino)-5-sulfamoyl-benzoic acid |
| 129315 | 4-chloro-2-(2-furylmethylamino)-5-sulfamoyl-benzoic acid; 2-furylmethanamine |
| 134842 | potassium 4-chloro-2-(2-furylmethylamino)-5-sulfamoyl-benzoic acid chloride |
| 162482 | sodium 4-chloro-2-(2-furylmethylamino)-5-sulfamoyl-benzoate |
| 4739262 | 4-chloro-2-(2-furylmethylamino)-5-sulfamoyl-benzoate |
| internal high similarity DBLink | Rows returned: 0 |
| active | Cluster 7895 | Additional Members: 8 | Rows returned: 0 |
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