| Compound Information | SONAR Target prediction |
| Name: | HYDROXYPROGESTERONE CAPROATE |
| Unique Identifier: | SPE01500343 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 388.286 g/mol |
| X log p: | 0.915 (online calculus) |
| Lipinksi Failures | 0 |
| TPSA | 60.44 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 4 |
| Rotatable Bond Count: | 7 |
| Canonical Smiles: | CCCCCC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4(C)C3CCC21C)C(C)=O |
| Source: | semisynthetic |
| Therapeutics: | progestogen |
| Generic_name: | Desoxycorticosterone Pivalate |
| Chemical_iupac_name: | [2-(10,13-dimethyl-3-oxo-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopent a[a]phenanthren-17-yl)-2-oxo-ethyl]2,2-dimethylpropanoate |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA449245 |
| Drugbank_id: | APRD00709 |
| H2o_solubility: | Insoluble |
| Logp: | 5.544 |
| Cas_registry_number: | 808-48-0 |
| Drug_category: | Diuretics; Anti-Addison Agents; ATC:H02A |
| Indication: | For treatment of adrenocortical insufficiency especially in multiple sclerosis, congenital cerebral palsy, polyarteritis nodosa, and rheumatoid arthritis. |
| Pharmacology: | Used to treat adrenocortical insufficiency, desoxycorticosterone pivalate is a mineralocorticoid hormone and an analogue of desoxycorticosterone. It primarily acts on the metabolism of sodium, potassium and water. When the drug is given, there is decreased excretion of sodium accompanied by increased excretion of potassium; the concentration of sodium in the blood is thereby increased whereas that of potassium is decreased. There is a concomitant increase in the volume of blood and extracellular fluids, with a fall in hematocrit. It increases the rate of renal tubular absorption of sodium. |
| Mechanism_of_action: | Desoxycorticosterone Pivalate binds to the mineralocorticoid receptor. Mineralocorticoids are a family of steroids, secreted by the adrenal cortex, necessary for the regulation of a number of metabolic processes including electrolyte regulation. Desoxycorticosterone pivalate exerts its effect through its interaction with the mineralocorticoid receptor (MR), whereby it reacts with the receptor proteins to form a steroid-receptor complex. This complex moves into the nucleus, where it binds to chromatin which results in genetic transcription of cellular DNA to messenger RNA. The steroid hormones appear to induce transcription and synthesis of specific proteins, which produce the physiological effects seen after administration. |
| Organisms_affected: | Humans and other mammals |
| Found: 1 active | as graph: single | with analogs |
| Species: | 4896 |
| Condition: | MT1181-W303mata |
| Replicates: | 2 |
| Raw OD Value: r im | 0.2214±0.0458912 |
| Normalized OD Score: sc h | 0.5980±0.0658762 |
| Z-Score: | -4.0939±0.704684 |
| p-Value: | 0.000164028 |
| Z-Factor: | 0.00487764 |
| Fitness Defect: | 8.7155 |
| Bioactivity Statement: | Toxic |
| ps |
| DBLink | Rows returned: 33 | 1 2 3 4 5 6 Next >> |
| 3471 | (17-acetyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl) hexanoate |
| 3653 | (17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl) hexanoate |
| 12419 | [(9S,14S,17R)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanth ren-17-yl] hexanoate |
| 13126 | [2-(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-oxo- ethyl] 2,2-dimethylpropanoate |
| 62997 | [(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cycl openta[a]phenanthren-17-yl] hexanoate |
| 94296 | [(8R,9S,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta [a]phenanthren-17-yl] heptanoate |
| internal high similarity DBLink | Rows returned: 3 |
| NRB 03870 | 0.9200 |
| SPE00300029 | 0.9710 |
| SPE01500379 | 0.9710 |
| nonactive | Cluster 13537 | Additional Members: 14 | Rows returned: 8 | 1 2 Next >> |
| LAT001F09 | 0.421052631578947 |
| LOPAC 00859 | 0.375 |
| SPE01503221 | 0.353846153846154 |
| Prest639 | 0.353846153846154 |
| LOPAC 00696 | 0.333333333333333 |
| LOPAC 01179 | 0.238095238095238 |
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