| Compound Information | SONAR Target prediction |
| Name: | SPIRONOLACTONE |
| Unique Identifier: | SPE01500539 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 387.344 g/mol |
| X log p: | 1.436 (online calculus) |
| Lipinksi Failures | 0 |
| TPSA | 85.74 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 4 |
| Rotatable Bond Count: | 2 |
| Canonical Smiles: | CC(=O)SC1CC2=CC(=O)CCC2(C)C2CCC3(C)C(CCC43CCC(=O)O4)C12 |
| Source: | synthetic |
| Therapeutics: | diuretic |
| Generic_name: | Spironolactone |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA451483 |
| Kegg_compound_id: | C07310 |
| Drugbank_id: | APRD01234 |
| Melting_point: | 134.5 oC |
| H2o_solubility: | Practically insoluble (22 mg/L) |
| Logp: | 4.308 |
| Cas_registry_number: | 01/07/1952 |
| Drug_category: | Aldosterone Antagonists; Diuretics; ATC:C03DA01 |
| Indication: | Used primarily to treat low-renin hypertension, hypokalemia, and Conn-s syndrome. |
| Pharmacology: | Spironolactone is a synthetic 17-lactone steroid which is a renal competitive aldosterone antagonist in a class of pharmaceuticals called potassium-sparing diuretics. On its own, spironolactone is only a weak diuretic, but it can be combined with other diuretics. Due to its anti-androgen effect, it can also be used to treat hirsutism, and is a common component in hormone therapy for male-to-female transgendered people. Spironolactone inhibits the effect of aldosterone by competing for intracellular aldosterone receptor in the distal tubule cells. This increases the secretion of water and sodium, while decreasing the excretion of potassium. Spironolactone has a fairly slow onset of action, taking several days to develop and similarly the effect diminishes slowly. |
| Mechanism_of_action: | Spironolactone is a specific pharmacologic antagonist of aldosterone, acting primarily through competitive binding of receptors at the aldosterone-dependent sodium-potassium exchange site in the distal convoluted renal tubule. Spironolactone causes increased amounts of sodium and water to be excreted, while potassium is retained. Spironolactone acts both as a diuretic and as an antihypertensive drug by this mechanism. It may be given alone or with other diuretic agents which act more proximally in the renal tubule. |
| Organisms_affected: | Humans and other mammals |
| Found: 205 nonactive as graph: single | with analogs | 1 2 3 4 5 6 7 8 9 10 Next >> [205] |
| Species: | 4932 |
| Condition: | AAT2 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.7428±0.00579828 |
| Normalized OD Score: sc h | 1.0218±0.00804619 |
| Z-Score: | 1.1651±0.452653 |
| p-Value: | 0.267796 |
| Z-Factor: | -2.5277 |
| Fitness Defect: | 1.3175 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 23 | 1 2 3 4 Next >> |
| 5267 |
| 5833 |
| 452291 |
| 6093165 |
| 6419955 |
| 6432512 |
| internal high similarity DBLink | Rows returned: 1 |
| LOPAC 00071 | 1.0000 |
| active | Cluster 3350 | Additional Members: 7 | Rows returned: 0 |
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