| Compound Information | SONAR Target prediction |
| Name: | Clobetasol propionate |
| Unique Identifier: | Prest25 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | C25ClFH32O5 |
| Molecular Weight: | 436.731 g/mol |
| X log p: | 5.182 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 60.44 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 5 |
| Rotatable Bond Count: | 5 |
| Canonical Smiles: | CCC(=O)OC1(C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C)C(=O)CCl |
| Generic_name: | Clobetasol |
| Chemical_iupac_name: | [17-(2-chloroacetyl)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15, 16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA449040 |
| Kegg_compound_id: | D01272 |
| Drugbank_id: | APRD00876 |
| Melting_point: | 195.5-197 oC |
| H2o_solubility: | 3.86 mg/L |
| Logp: | 3.588 |
| Cas_registry_number: | 25122-46-7 |
| Drug_category: | Corticosteroids, topical; ATC:D07AD01 |
| Indication: | For short-term topical treatment of the inflammatory and pruritic manifestations of moderate to severe corticosteroid-responsive dermatoses of the scalp. |
| Pharmacology: | Like other topical corticosteroids, clobetasol has anti-inflammatory, antipruritic, and vasoconstrictive properties. It is a very high potency topical corticosteroid that should not be used with occlusive dressings. It is recommended that treatment should be limited to 2 consecutive weeks and therapy should be discontinued when adequate results have been achieved. |
| Mechanism_of_action: | The precise mechanism of the antiinflammatory activity of topical steroids in the treatment of steroid-responsive dermatoses, in general, is uncertain. 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: 1 active | as graph: single | with analogs |
| Species: | 9606 |
| Condition: | TMPPre003 |
| Replicates: | 2 |
| Raw OD Value: r im | 10346.0000±0 |
| Normalized OD Score: sc h | 0.7857±0 |
| Z-Score: | -5.9622±0 |
| p-Value: | 0.00000000248878 |
| Z-Factor: | -2.64397 |
| Fitness Defect: | 19.8115 |
| Bioactivity Statement: | Active |
| ps |
| DBLink | Rows returned: 7 | 1 2 Next >> |
| 2791 | [17-(2-chloroacetyl)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopen ta[a]phenanthren-17-yl] propanoate |
| 32798 | [(8S,9R,10S,11S,13S,14S,16S,17R)-17-(2-chloroacetyl)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8, 11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate |
| 91284 | [(8S,10S,11S,13S,14S,16S,17R)-17-(2-chloroacetyl)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11, 12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] butanoate |
| 5702274 | [(9R,10S,11S,13S,16S,17R)-17-(2-chloroacetyl)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,1 4,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate |
| 6419872 | [(9R,17R)-17-(2-chloroacetyl)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydr ocyclopenta[a]phenanthren-17-yl] propanoate |
| 6604380 | [(8R,9S,10R,11S,13S,14R,16S,17S)-17-(2-chloroacetyl)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8, 11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate |
| internal high similarity DBLink | Rows returned: 0 |
| active | Cluster 9739 | Additional Members: 15 | Rows returned: 0 |
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