| Compound Information | SONAR Target prediction |
| Name: | FLUMETHAZONE PIVALATE |
| Unique Identifier: | SPE01500300 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 458.282 g/mol |
| X log p: | 3.904 (online calculus) |
| Lipinksi Failures | 0 |
| TPSA | 60.44 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 6 |
| Rotatable Bond Count: | 5 |
| Canonical Smiles: | CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)COC(=O)C(C)(C)C |
| Source: | semisynthetic |
| Therapeutics: | glucocorticoid, antiinflammatory |
| Generic_name: | Flumethasone Pivalate |
| Chemical_iupac_name: | [2-(6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octah ydrocyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl] 2,2-dimethylpropanoate |
| Drug_type: | Approved Drug |
| Kegg_compound_id: | D01464 |
| Drugbank_id: | APRD00975 |
| Melting_point: | 219 oC (base only) |
| H2o_solubility: | 0.392 mg/L |
| Logp: | 4.212 |
| Cas_registry_number: | 2002-29-1 |
| Drug_category: | Anti-inflammatory Agents; Glucocorticoids; Antipruritics; ATC:C05AA10; ATC:D07AC04 |
| Indication: | For the treatment of contact dermatitis, atopic dermatitis, exczema, psoriasis, diaper rash and other skin conditions |
| Pharmacology: | Flumethasone pivalate is a moderately potent difluorinated corticosteroid ester with anti-inflammatory, antipruritic and vasoconstrictive properties. As it is a privalate salt, its anti-inflammatory action is concentrated at the site of application. This local effect on diseased areas results in a prompt decrease in inflammation, exudation and itching. |
| Mechanism_of_action: | Flumethasone is a glucocorticoid receptor agonist. The antiinflammatory actions of corticosteroids are thought to involve lipocortins, phospholipase A2 inhibitory proteins which, through inhibition arachidonic acid, control the biosynthesis of prostaglandins and leukotrienes. The immune system is suppressed by corticosteroids due to a decrease in the function of the lymphatic system, a reduction in immunoglobulin and complement concentrations, the precipitation of lymphocytopenia, and interference with antigen-antibody binding. Flumethasone binds to plasma transcortin, and it becomes active when it is not bound to transcortin. |
| Organisms_affected: | Humans and other mammals |
| Found: 205 nonactive as graph: single | with analogs | 1 2 3 4 5 6 7 8 9 10 Next >> [205] |
| Species: | 4932 |
| Condition: | AAT2 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.7168±0.0131522 |
| Normalized OD Score: sc h | 0.9869±0.0166326 |
| Z-Score: | -0.7084±0.899138 |
| p-Value: | 0.560508 |
| Z-Factor: | -8.61608 |
| Fitness Defect: | 0.5789 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 5 |
| 3376 | [2-(6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phe nanthren-17-yl)-2-oxo-ethyl] 2,2-dimethylpropanoate |
| 16158 | [2-[(6S,9R,11S,14S,16R,17R)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-o ctahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] 2,2-dimethylpropanoate |
| 171624 | [2-[(6S,8S,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14 ,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] 2,2-dimethylpropanoate |
| 443980 | [2-[(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12 ,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] 2,2-dimethylpropanoate |
| 5702055 | [2-[(6S,9R,10S,11S,13S,16R,17R)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15, 16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] 2,2-dimethylpropanoate |
| internal high similarity DBLink | Rows returned: 4 |
| SPE01500231 | 0.9135 |
| SPE01503210 | 0.9151 |
| SPE01500145 | 0.9238 |
| SPE01503299 | 0.9423 |
| active | Cluster 15366 | Additional Members: 3 | Rows returned: 1 |
| SPE01503299 | 0 |
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