| Compound Information | SONAR Target prediction |
| Name: | METHYLPREDNISOLONE |
| Unique Identifier: | SPE01500406 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 344.232 g/mol |
| X log p: | 3.897 (online calculus) |
| Lipinksi Failures | 0 |
| TPSA | 34.14 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 5 |
| Rotatable Bond Count: | 2 |
| Canonical Smiles: | CC1CC2C3CCC(O)(C(=O)CO)C3(C)CC(O)C2C2(C)C=CC(=O)C=C12 |
| Source: | semisynthetic |
| Therapeutics: | glucocorticoid |
| Generic_name: | Prednisolone |
| Chemical_iupac_name: | 11,17-dihydroxy-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: | PA451096 |
| Kegg_compound_id: | C07369 |
| Drugbank_id: | APRD00197 |
| Melting_point: | 235 oC |
| H2o_solubility: | 223 mg/L |
| Logp: | 1.705 |
| Cas_registry_number: | 50-24-8 |
| Drug_category: | Antineoplastic Agents; Glucocorticoids; Anti-inflammatory Agents; AdrenergicAgents; ATC:A07EA01; ATC:C05AA04; ATC:D07AA01; ATC:D07AA03; ATC:D07AC14;ATC:D07XA02; ATC:D10AA02; ATC:H02AB04; ATC:H02AB06; ATC:R01AD02; ATC:S01BA04;ATC:S01CB02; ATC:S02BA03; ATC:S03BA02 |
| Indication: | For the treatment of primary or secondary adrenocortical insufficiency, such as congenital adrenal hyperplasia, thyroiditis. Also used to treat psoriatic arthritis, rheumatoid arthritis, ankylosing spondylitis, bursitis, acute gouty arthritis and epicondylitis. Also indicated for treatment of systemic lupus erythematosus, pemphigus and acute rhematic carditis. Can be used in the treatment of leukemias, lymphomas, thrombocytopenia purpura and autoimmune hemolytic anemia. Can be used to treat celiac disease, insulin resistance, ulcerative colitis and liver disorders. |
| Pharmacology: | Prednisolone is a synthetic glucocorticoid used as antiinflammatory or immunosuppressive agent. Prednisolone is indicated in the treatment of various conditions, including congenital adrenal hyperplasia, psoriatic arthritis, systemic lupus erythematosus, bullous dermatitis herpetiformis, seasonal or perennial allergic rhinitis, allergic corneal marginal ulcers, symptomatic sarcoidosis, idiopathic thrombocytopenic purpura in adults, leukemias and lymphomas in adults, and ulcerative colitis. Glucocorticoids are adrenocortical steroids and cause profound and varied metabolic effects. In addition, they modify the body-s immune responses to diverse stimuli. |
| Mechanism_of_action: | Glucocorticoids such as Prednisolone can inhibit leukocyte infiltration at the site of inflammation, interfere with mediators of inflammatory response, and suppress humoral immune responses. The antiinflammatory actions of glucocorticoids are thought to involve phospholipase A2 inhibitory proteins, lipocortins, which control the biosynthesis of potent mediators of inflammation such as prostaglandins and leukotrienes. Prednisolone reduces inflammatory reaction by limiting the capillary dilatation and permeability of the vascular structures. These compounds restrict the accumulation of polymorphonuclear leukocytes and macrophages and reduce the release of vasoactive kinins. Recent research suggests that corticosteroids may inhibit the release of arachidonic acid from phospholipids, thereby reducing the formation of prostaglandins. Prednisolone is a glucocorticoid receptor agonist. On binding, the corticoreceptor-ligand complex translocates itself into the cell nucleus, where it binds to many glucocorticoid response elements (GRE) in the promoter region of the target genes. The DNA bound receptor then interacts with basic transcription factors, causing an increase or decrease in expression of specific target genes, including suppression of IL2 (interleukin 2) expression. |
| Organisms_affected: | Humans and other mammals |
| Found: 205 nonactive as graph: single | with analogs | [1] << Back 31 32 33 34 35 36 37 38 39 40 Next >> [205] |
| Species: | 4932 |
| Condition: | KEM1 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.6074±0.00190919 |
| Normalized OD Score: sc h | 0.9863±0.000959436 |
| Z-Score: | -0.5663±0.00510394 |
| p-Value: | 0.57118 |
| Z-Factor: | -5.79004 |
| Fitness Defect: | 0.5601 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 29 | << Back 1 2 3 4 5 Next >> |
| 6573073 | (8R,9R,10R,11R,13R,14S,16S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,9,11,12,14,1 5,16-octahydro-6H-cyclopenta[a]phenanthren-3-one |
| 6604178 | (8S,9S,11R,13R,14R,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahyd ro-6H-cyclopenta[a]phenanthren-3-one |
| 6604212 | (6S,8S,9S,11R,13R,14R,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-7,8,9,11,12,14,15,16-o ctahydro-6H-cyclopenta[a]phenanthren-3-one |
| 6957660 | (6R,8R,9S,10S,11R,13R,14R,17S)-11,17-dihydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-7,8,9,11,12,14,15, 16-octahydro-6H-cyclopenta[a]phenanthren-3-one |
| 6957664 | (8S,9S,10S,11R,13R,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-oct ahydro-6H-cyclopenta[a]phenanthren-3-one |
| 7002929 | (8R,9S,10R,11R,13R,14R,16S,17S)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,9,11,12,14,1 5,16-octahydro-6H-cyclopenta[a]phenanthren-3-one |
| internal high similarity DBLink | Rows returned: 1 |
| SPE01500496 | 1.0000 |
| active | Cluster 8234 | Additional Members: 4 | Rows returned: 0 |
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