| Compound Information | SONAR Target prediction |
| Name: | TRIAMCINOLONE |
| Unique Identifier: | SPE01500586 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 367.22 g/mol |
| X log p: | 4.316 (online calculus) |
| Lipinksi Failures | 0 |
| TPSA | 34.14 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 6 |
| Rotatable Bond Count: | 2 |
| Canonical Smiles: | CC12CC(O)C3(F)C(CCC4=CC(=O)C=CC43C)C1CC(O)C2(O)C(=O)CO |
| Source: | semisynthetic |
| Therapeutics: | glucocorticoid |
| Generic_name: | Triamcinolone |
| Chemical_iupac_name: | 9-fluoro-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,10,11,12,13 ,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA451748 |
| Kegg_compound_id: | C07158 |
| Drugbank_id: | APRD00422 |
| Melting_point: | 274 - 278 (dec) oC |
| H2o_solubility: | 80 mg/L |
| Logp: | 0.329 |
| Cas_registry_number: | 124-94-7 |
| Mass_spectrum: | http://webbook.nist.gov/cgi/cbook.cgi?Spec=C124947&Index=0&Type=Mass&Large=on |
| Drug_category: | Glucocorticoids; Anti-inflammatory Agents; Adrenergic Agents; ATC:A01AC01; ATC:D07AB09; ATC:D07XB02; ATC:H02AB08; ATC:R01AD11; ATC:R03BA06; ATC:S01BA05 |
| Indication: | For the treatment of perennial and seasonal allergic rhinitis. |
| Pharmacology: | Triamcinolone and its derivatives are synthetic glucocorticoids that are used for their antiinflammatory or immunosuppressive properties. |
| Mechanism_of_action: | The antiinflammatory actions of corticosteroids are thought to involve lipocortins, phospholipase A2 inhibitory proteins which, through inhibition of 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. |
| 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: | BCK1 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.8685±0.0250316 |
| Normalized OD Score: sc h | 1.0034±0.00357467 |
| Z-Score: | 0.5923±0.0593813 |
| p-Value: | 0.553996 |
| Z-Factor: | -0.871075 |
| Fitness Defect: | 0.5906 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 21 | 1 2 3 4 Next >> |
| 5544 | 9-fluoro-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopent a[a]phenanthren-3-one |
| 31307 | (8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoro-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,1 1,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one |
| 5702125 | (9R,10S,11S,13S,16R,17S)-9-fluoro-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,11,12,14 ,15,16-octahydrocyclopenta[a]phenanthren-3-one |
| 6432032 | (11S,16R)-9-fluoro-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydr ocyclopenta[a]phenanthren-3-one |
| 6452518 | (8S,10S,11S,13S,14S,16R,17S)-9-fluoro-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,11,1 2,14,15,16-octahydrocyclopenta[a]phenanthren-3-one |
| 6546953 | (8S,9S,10S,11R,13S,14R,16S,17R)-9-fluoro-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,1 1,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one |
| internal high similarity DBLink | Rows returned: 4 |
| SPE01500304 | 0.9333 |
| LOPAC 00728 | 0.9467 |
| SPE01500144 | 0.9467 |
| LOPAC 01262 | 1.0000 |
| active | Cluster 9739 | Additional Members: 15 | Rows returned: 1 |
| Prest25 | 0.376470588235294 |
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