| Compound Information | SONAR Target prediction |
| Name: | ETHISTERONE |
| Unique Identifier: | SPE01503221 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 284.224 g/mol |
| X log p: | 1.121 (online calculus) |
| Lipinksi Failures | 0 |
| TPSA | 17.07 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 2 |
| Rotatable Bond Count: | 0 |
| Canonical Smiles: | CC12CCC(=O)C=C1CCC1C2CCC2(C)C1CCC2(O)C#C |
| Source: | synthetic; NSC-9565 |
| Therapeutics: | progestogen |
| Generic_name: | Norgestrel |
| Chemical_iupac_name: | 13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyc lopenta[a]phenanthren-3-one |
| Drug_type: | Approved Drug |
| Kegg_compound_id: | C08153 |
| Drugbank_id: | APRD00106 |
| Melting_point: | 206oC |
| Logp: | 3.251 |
| Cas_registry_number: | 6533-00-2 |
| Drug_category: | Contraceptives; ATC:G03AC03 |
| Indication: | Used as an oral contraceptive to prevent pregnancy |
| Pharmacology: | Norgestrel is used as a female contraceptive. Norgestrel is a progestin or a synthetic form of the naturally occurring female sex hormone, progesterone. In a woman-s normal menstrual cycle, an egg matures and is released from the ovaries (ovulation). The ovary then produces progesterone, preventing the release of further eggs and priming the lining of the womb for a possible pregnancy. If pregnancy occurs, progesterone levels in the body remain high, maintaining the womb lining. If pregnancy does not occur, progesterone levels in the body fall, resulting in a menstrual period. Norgestrel tricks the body processes into thinking that ovulation has already occurred, by maintaining high levels of the synthetic progesterone. This prevents the release of eggs from the ovaries. |
| Mechanism_of_action: | Norgestrel binds to the progesterone and estrogen receptors. Target cells include the female reproductive tract, the mammary gland, the hypothalamus, and the pituitary. Once bound to the receptor, progestins like Norgestrel will slow the frequency of release of gonadotropin releasing hormone (GnRH) from the hypothalamus and blunt the pre-ovulatory LH (luteinizing hormone) surge. |
| Organisms_affected: | Humans and other mammals |
| Found: 3 active | as graph: single | with analogs | << Back 1 2 3 |
| Species: | 4932 |
| Condition: | SER1 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.4481±0.0253851 |
| Normalized OD Score: sc h | 0.8699±0.026318 |
| Z-Score: | -4.0887±0.716788 |
| p-Value: | 0.000172709 |
| Z-Factor: | -0.236726 |
| Fitness Defect: | 8.6639 |
| Bioactivity Statement: | Active |
| ps |
| DBLink | Rows returned: 51 | << Back 1 2 3 4 5 6 7 8 9 Next >> |
| 188364 | (8R,9S,10R,14S)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phe nanthren-3-one |
| 200224 | (7R,8R,9R,10R,13S,14S)-17-ethynyl-17-hydroxy-7,13-dimethyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocycl openta[a]phenanthren-3-one |
| 285365 | 17-ethynyl-17-hydroxy-7,13-dimethyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3- one |
| 549830 | 17-(2-hydroxybut-3-yn-2-yl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenant hren-3-one |
| 1415301 | (8S,9R,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclo penta[a]phenanthren-3-one |
| 1427620 | (8R,9S,10R,13R,14S,17S)-17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclope nta[a]phenanthren-3-one |
| internal high similarity DBLink | Rows returned: 3 |
| NRB 03706 | 1.0000 |
| SPE01500437 | 1.0000 |
| SPE01500441 | 1.0000 |
| active | Cluster 13537 | Additional Members: 14 | Rows returned: 3 |
| SPE01500343 | 0.421052631578947 |
| LOPAC 00859 | 0.375 |
| SPE01701060 | 0 |
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