| Compound Information | SONAR Target prediction |
| Name: | FLUOROMETHOLONE |
| Unique Identifier: | SPE01500304 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 347.231 g/mol |
| X log p: | 4.254 (online calculus) |
| Lipinksi Failures | 0 |
| TPSA | 34.14 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 4 |
| Rotatable Bond Count: | 1 |
| Canonical Smiles: | CC1CC2C3CCC(O)(C(C)=O)C3(C)CC(O)C2(F)C2(C)C=CC(=O)C=C12 |
| Source: | semisynthetic |
| Therapeutics: | glucocorticoid, antiinflammatory |
| Generic_name: | Fluorometholone |
| Chemical_iupac_name: | 17-acetyl-9-fluoro-11,17-dihydroxy-6,10,13-trimethyl-6,7,8,11,12,14,15,16-octahydroc yclopenta[a]phenanthren-3-one |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA449670 |
| Kegg_compound_id: | C14629 |
| Drugbank_id: | APRD00980 |
| Melting_point: | 297 oC |
| H2o_solubility: | 30 mg/L |
| Logp: | 2.243 |
| Cas_registry_number: | 426-13-1 |
| Drug_category: | Anti-Allergic Agents; Anti-Inflammatory Agents; Glucocorticoids; ATC:C05AA06; ATC:D07AB06; ATC:D07XB04; ATC:D10AA01; ATC:S01BA07; ATC:S01CB05 |
| Indication: | A topical anti-inflammatory product for ophthalmic use. For the treatment of corticosteroid-responsive inflammation of the palpebral and bulbar conjunctiva, cornea and anterior segment of the globe |
| Mechanism_of_action: | There is no generally accepted explanation for the mechanism of action of ocular corticosteroids. However, corticosteroids are thought to act by the induction of phospholipase A2 inhibitory proteins, collectively called lipocortins. It is postulated that these proteins control the biosynthesis of potent mediators of inflammation such as prostaglandins and leukotrienes by inhibiting the release of their common precursor, arachidonic acid. Arachidonic acid is released from membrane phospholipids by phospholipase A2. |
| Organisms_affected: | Humans and other mammals |
| Found: 205 nonactive as graph: single | with analogs | [1] << Back 31 32 33 34 35 36 37 38 39 40 Next >> [205] |
| Species: | 4932 |
| Condition: | HXK2 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.7197±0.0170413 |
| Normalized OD Score: sc h | 0.9609±0.0000743886 |
| Z-Score: | -1.7437±0.0383661 |
| p-Value: | 0.0813298 |
| Z-Factor: | -0.341633 |
| Fitness Defect: | 2.5092 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 5 |
| 3384 | 17-acetyl-9-fluoro-11,17-dihydroxy-6,10,13-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanth ren-3-one |
| 9878 | (6S,8S,9R,10S,11S,13S,14S,17R)-17-acetyl-9-fluoro-11,17-dihydroxy-6,10,13-trimethyl-6,7,8,11,12,14,15,16 -octahydrocyclopenta[a]phenanthren-3-one |
| 71106 | (8S,9R,10S,11S,13S,14S,16S,17R)-17-acetyl-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15, 16-octahydrocyclopenta[a]phenanthren-3-one |
| 5702058 | (6S,9R,11S,13S,17R)-17-acetyl-9-fluoro-11,17-dihydroxy-6,10,13-trimethyl-6,7,8,11,12,14,15,16-octahydroc yclopenta[a]phenanthren-3-one |
| 6604245 | (6R,8R,9R,10S,11S,13R,14S,17R)-17-acetyl-9-fluoro-11,17-dihydroxy-6,10,13-trimethyl-6,7,8,11,12,14,15,16 -octahydrocyclopenta[a]phenanthren-3-one |
| internal high similarity DBLink | Rows returned: 4 |
| LOPAC 01262 | 0.9333 |
| SPE01500586 | 0.9333 |
| LOPAC 00728 | 0.9859 |
| SPE01500144 | 0.9859 |
| nonactive | Cluster 2095 | Additional Members: 14 | Rows returned: 13 | 1 2 3 Next >> |
| Prest227 | 0.553191489361702 |
| Prest1065 | 0.494736842105263 |
| SPE01501175 | 0.494736842105263 |
| LAT002B11 | 0.494736842105263 |
| Prest1226 | 0.440860215053763 |
| LAT002D03 | 0.41304347826087 |
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