| Compound Information | SONAR Target prediction |
| Name: | Alclometasone dipropionate |
| Unique Identifier: | Prest1079 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | C28ClH37O7 |
| Molecular Weight: | 486.772 g/mol |
| X log p: | 4.996 (online calculus) |
| Lipinksi Failures | 0 |
| TPSA | 86.74 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 7 |
| Rotatable Bond Count: | 8 |
| Canonical Smiles: | CCC(=O)OCC(=O)C1(OC(=O)CC)C(C)CC2C3C(Cl)CC4=CC(=O)C=CC4(C)C3C(O)CC21C |
| Generic_name: | Alclometasone |
| Chemical_iupac_name: | [7-chloro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-(2-propanoyloxyacetyl)-7,8,9,11,12, 14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl] propanoate |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA448070 |
| Kegg_compound_id: | D01820 |
| Drugbank_id: | APRD00783 |
| H2o_solubility: | Insoluble |
| Logp: | 3.669 |
| Cas_registry_number: | 66734-13-2 |
| Drug_category: | Corticosteroids; Anti-Inflammatory Agents; Antipruritic Agents; ATC:D07AB10; ATC:S01BA10 |
| Indication: | For the relief of the inflammatory and pruritic manifestations of corticosteroid-responsive dermatoses. |
| Pharmacology: | Alclometasone is a synthetic corticosteroid for topical dermatologic use. The corticosteroids constitute a class of primarily synthetic steroids used topically as anti-inflammatory and antipruritic agents. Alclometasone is a selective glucocorticoid receptor agonist. |
| Mechanism_of_action: | The mechanism of the anti-inflammatory activity of the topical steroids, in general, is unclear. 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. Alclometasone also binds the corticosteroid receptor. |
| Organisms_affected: | Humans and other mammals |
| Found: 2 nonactive | as graph: single | with analogs | 1 2 Next >> |
| Species: | 9606 |
| Condition: | TMPPre001 |
| Replicates: | 2 |
| Raw OD Value: r im | 1102.0000±0 |
| Normalized OD Score: sc h | 0.9698±0 |
| Z-Score: | -0.6809±0 |
| p-Value: | 0.49595 |
| Z-Factor: | -26.9204 |
| Fitness Defect: | 0.7013 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 5 |
| 2085 | [2-(7-chloro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclo penta[a]phenanthren-17-yl)-2-oxo-ethyl] propanoate |
| 48027 | [2-[(7R,14S,16R,17R)-7-chloro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-7,8,9,11,12,14,15,16-o ctahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] propanoate |
| 636374 | [2-[(7R,8S,9S,10S,11S,13S,14S,16R,17R)-7-chloro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-7,8, 9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] propanoate |
| 6604459 | [2-[(7S,8R,9S,11S,13S,14R,16R,17R)-7-chloro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-7,8,9,11 ,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] propanoate |
| 6713977 | [2-[(7R,8S,9S,10S,11S,13S,14S,16R)-7-chloro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-7,8,9,11 ,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] propanoate |
| internal high similarity DBLink | Rows returned: 0 |
| active | Cluster 17014 | Additional Members: 17 | Rows returned: 1 |
| Prest840 | 0.425287356321839 |
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