| Compound Information | SONAR Target prediction |
| Name: | MEDRYSONE |
| Unique Identifier: | SPE01500380 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 312.234 g/mol |
| X log p: | 1.024 (online calculus) |
| Lipinksi Failures | 0 |
| TPSA | 34.14 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 3 |
| Rotatable Bond Count: | 1 |
| Canonical Smiles: | CC1CC2C3CCC(C(C)=O)C3(C)CC(O)C2C2(C)CCC(=O)C=C12 |
| Source: | semisynthetic |
| Therapeutics: | glucocorticoid |
| Generic_name: | Medrysone |
| Chemical_iupac_name: | 17-acetyl-11-hydroxy-6,10,13-trimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocycl openta[a]phenanthren-3-one |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA450346 |
| Kegg_compound_id: | C14643 |
| Drugbank_id: | APRD01091 |
| Melting_point: | 156.5 oC |
| Logp: | 3.291 |
| Cas_registry_number: | 2668-66-8 |
| Drug_category: | Topical anti-inflammatory Agent; ATC:S01BA08 |
| Indication: | For the treatment of allergic conjunctivitis, vernal conjunctivitis, episcleritis, and epinephrine sensitivity. |
| Pharmacology: | Medrysone is a topical anti-inflammatory corticoidsteroids for ophthalmic use. In patients with increased intraocular pressure and in those susceptible to a rise in intraocular pressure, there is less effect on pressure with medrysone than with dexamethasone or betamethasone. Corticoidsteroids inhibit the edema, fibrin deposition, capillary dilation, and phagocytic migration of the acute inflammatory response, as well as capillary proliferation, deposition of collagen, and scar formation. |
| 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 1 2 3 4 5 6 7 8 9 10 Next >> [205] |
| Species: | 4932 |
| Condition: | BNI1 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.6703±0.0132229 |
| Normalized OD Score: sc h | 0.9718±0.0106612 |
| Z-Score: | -1.4015±0.570538 |
| p-Value: | 0.194667 |
| Z-Factor: | -4.4253 |
| Fitness Defect: | 1.6365 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 42 | << Back 1 2 3 4 5 6 7 Next >> |
| 4328075 | 17-acetyl-11-hydroxy-6,10,11,13-tetramethyl-2,6,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthr en-3-one |
| 4651491 | 17-acetyl-11-hydroxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3- one |
| 4873067 | 17-acetyl-11-hydroxy-10,13,16,17-tetramethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanth ren-3-one |
| 5702081 | (6S,10R,11S,13R,17S)-17-acetyl-11-hydroxy-6,10,13-trimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyc lopenta[a]phenanthren-3-one |
| 6540843 | (8S,9R,10R,11R,13S,14S,17R)-17-acetyl-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydr ocyclopenta[a]phenanthren-3-one |
| 6541142 | (5S,8S,9R,10R,11R,13S,14S,17R)-17-acetyl-11-hydroxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecah ydrocyclopenta[a]phenanthren-3-one |
| internal high similarity DBLink | Rows returned: 13 | 1 2 3 Next >> |
| SPE00307023 | 0.9167 |
| SB 01709 | 0.9167 |
| NRB 04205 | 0.9167 |
| NRB 03896 | 0.9167 |
| NRB 03850 | 0.9167 |
| NRB 03833 | 0.9167 |
| active | Cluster 7623 | Additional Members: 3 | Rows returned: 0 |
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