| Compound Information | SONAR Target prediction |
| Name: | Rimexolone |
| Unique Identifier: | Prest1297 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | C24H34O3 |
| Molecular Weight: | 339.279 g/mol |
| X log p: | 4.786 (online calculus) |
| Lipinksi Failures | 0 |
| TPSA | 34.14 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 3 |
| Rotatable Bond Count: | 2 |
| Canonical Smiles: | CCC(=O)C1(C)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC21C |
| Generic_name: | Rimexolone |
| Chemical_iupac_name: | 11-hydroxy-10,13,16,17-tetramethyl-17-propanoyl-7,8,9,11,12,14,15,16-octahydro-6H-cy clopenta[a]phenanthren-3-one |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA451254 |
| Drugbank_id: | APRD01220 |
| H2o_solubility: | Insoluble |
| Logp: | 4.498 |
| Cas_registry_number: | 49697-38-3 |
| Drug_category: | Anti-inflammatory agents; Corticosteroids; ATC:H02AB12; ATC:S01BA13 |
| Indication: | For the treatment of postoperative inflammation following ocular surgery and in the treatment of anterior uveitis. |
| Pharmacology: | Rimexolone is a glucocorticoid corticosteroid for systemic use. Corticosteroids suppress the inflammatory response to a variety of inciting agents of a mechanical, chemical, or immunological nature. They inhibit edema, cellular infiltration, capillary dilatation, fibroblastic proliferation, deposition of collagen and scar formation associated with inflammation. |
| Mechanism_of_action: | Betamethasone is a glucocorticoid receptor agonist. The antiinflammatory actions of corticosteroids are thought to involve lipocortins, phospholipase A2 inhibitory proteins which, through inhibition of arachidonic acid, control the biosynthesis of prostaglandins and leukotrienes. |
| Organisms_affected: | Humans and other mammals |
| Found: 3 nonactive as graph: single | with analogs | 1 2 3 Next >> |
| Species: | 9606 |
| Condition: | TMPPre001 |
| Replicates: | 2 |
| Raw OD Value: r im | 691.0000±0 |
| Normalized OD Score: sc h | 0.9165±0 |
| Z-Score: | -1.8812±0 |
| p-Value: | 0.0599464 |
| Z-Factor: | -7.92757 |
| Fitness Defect: | 2.8143 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 7 | 1 2 Next >> |
| 37049 | 17-acetyl-11-hydroxy-6,10,13-trimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one |
| 39507 | (10S,11S,13S,16R,17S)-11-hydroxy-10,13,16,17-tetramethyl-17-propanoyl-7,8,9,11,12,14,15,16-octahydro-6H- cyclopenta[a]phenanthren-3-one |
| 71422 | (6S,8S,9S,10S,11S,13R,14S,17S)-17-acetyl-11-hydroxy-6,10,13-trimethyl-6,7,8,9,11,12,14,15,16,17-decahydr ocyclopenta[a]phenanthren-3-one |
| 3080605 | (8S,9S,10S,11S,13R,14S,17S)-17-acetyl-11-hydroxy-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclo penta[a]phenanthren-3-one |
| 4460696 | 11-hydroxy-10,13,16,17-tetramethyl-17-propanoyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthr en-3-one |
| 5311412 | (8S,9S,10S,11S,13S,14S,16R,17S)-11-hydroxy-10,13,16,17-tetramethyl-17-propanoyl-7,8,9,11,12,14,15,16-oct ahydro-6H-cyclopenta[a]phenanthren-3-one |
| internal high similarity DBLink | Rows returned: 0 |
| nonactive | Cluster 17014 | Additional Members: 17 | Rows returned: 14 | 1 2 3 Next >> |
| SPE01505125 | 0.577319587628866 |
| Prest1079 | 0.577319587628866 |
| Prest1284 | 0.454545454545455 |
| LOPAC 00729 | 0.425287356321839 |
| Prest840 | 0.425287356321839 |
| LAT003F07 | 0.425287356321839 |
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