| Compound Information | SONAR Target prediction |
| Name: | BETAMETHASONE |
| Unique Identifier: | SPE01500144 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 363.231 g/mol |
| X log p: | 4.005 (online calculus) |
| Lipinksi Failures | 0 |
| TPSA | 34.14 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 5 |
| Rotatable Bond Count: | 2 |
| Canonical Smiles: | CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO |
| Source: | semisynthetic |
| Therapeutics: | glucocorticoid, antiinflammatory |
| Generic_name: | Betamethasone |
| Chemical_iupac_name: | 9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,9,10,11,12,13 ,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA448605 |
| Kegg_compound_id: | C06848 |
| Drugbank_id: | APRD00513 |
| Melting_point: | 231-234oC |
| H2o_solubility: | Insoluble |
| Logp: | 1.772 |
| Cas_registry_number: | 378-44-9 |
| Drug_category: | Corticosteroid; Glucocorticoids; Anti-inflammatory, steroidal; Immunosuppressants; ATC:A07EA04; ATC:C05AA05; ATC:D07AC01; ATC:D07XC01; ATC:H02AB01; ATC:R01AD06; ATC:R03BA04; ATC:S01BA06; ATC:S01CB04; ATC:S02BA07; ATC:S03BA03 |
| Indication: | Topical use (cream, lotion and ointment): for relief of the inflammatory and pruritic manifestations of corticosteroid-responsive dermatoses Topical use (foam): relief of the inflammatory and pruritic manifestations of corticosteroid-responsive dermatoses of the scalp Systemic use: for the treatment of edocrine disorders, rheumatic disorders, collagen diseases, dermatological diseases, allergic states, ophthalmic diseases, respiratory diseases, hematologic disorders, neoplastic diseases, edematous states, gastrointestinal diseases, tuberculous meningitis and trichinosis. |
| Pharmacology: | Betamethasone and its derivatives, betamethasone sodium phosphate and betamethasone acetate, are synthetic glucocorticoids. Used for its antiinflammatory or immunosuppressive properties, betamethasone is combined with a mineralocorticoid to manage adrenal insufficiency and is used in the form of betamethasone benzoate, betamethasone dipropionate, or betamethasone valerate for the treatment of inflammation due to corticosteroid-responsive dermatoses. Betamethasone and clotrimazole are used together to treat cutaneous tinea infections. |
| Mechanism_of_action: | Betamethasone 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. Betamethasone binds to plasma transcortin, and it becomes active when it is not bound to transcortin. |
| Organisms_affected: | Humans and other mammals |
| Found: 192 nonactive as graph: single | with analogs | 1 2 3 4 5 6 7 8 9 10 Next >> [192] |
| Species: | 4932 |
| Condition: | AAT2 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.7196±0.00586899 |
| Normalized OD Score: sc h | 0.9966±0.00969193 |
| Z-Score: | -0.1883±0.519108 |
| p-Value: | 0.718382 |
| Z-Factor: | -57.6025 |
| Fitness Defect: | 0.3308 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 27 | << Back 1 2 3 4 5 Next >> |
| 969487 | (8R,9S,10R,11R,13R,14R,16R,17S)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,1 1,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one |
| 1150209 | (8R,9S,10R,11R,13R,14R,16S,17S)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,1 1,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one |
| 3036635 | (8S,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,1 2,14,15,16-octahydrocyclopenta[a]phenanthren-3-one |
| 3738387 | 9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta [a]phenanthren-3-one |
| 5702012 | (9R,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydro cyclopenta[a]phenanthren-3-one |
| 5702035 | (9R,10S,11S,13S,16R,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14 ,15,16-octahydrocyclopenta[a]phenanthren-3-one |
| internal high similarity DBLink | Rows returned: 4 |
| LOPAC 01262 | 0.9467 |
| SPE01500586 | 0.9467 |
| SPE01500304 | 0.9859 |
| LOPAC 00728 | 1.0000 |
| active | Cluster 9739 | Additional Members: 15 | Rows returned: 1 |
| Prest25 | 0.376470588235294 |
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