| Compound Information | SONAR Target prediction |
| Name: | Prednicarbate |
| Unique Identifier: | Prest1284 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | C27H36O8 |
| Molecular Weight: | 455.308 g/mol |
| X log p: | 4.854 (online calculus) |
| Lipinksi Failures | 0 |
| TPSA | 95.97 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 8 |
| Rotatable Bond Count: | 9 |
| Canonical Smiles: | CCOC(=O)OC1(CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC21C)C(=O)COC(=O)CC |
| Generic_name: | Prednicarbate |
| Chemical_iupac_name: | [2-(17-ethoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahy dro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl] propanoate |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA451095 |
| Drugbank_id: | APRD01197 |
| Logp: | 3.392 |
| Cas_registry_number: | 73771-04-7 |
| Drug_category: | Corticosteroid; Anti Inflammatory; Steroidal; ATC:D07AC18 |
| Indication: | For the relief of the inflammatory and pruritic manifestations of corticosteroid-responsive dermatoses. |
| Pharmacology: | Corticosteroids diffuse across cell membranes and complex with specific cytoplasmic receptors. These complexes then enter the cell nucleus, bind to DNA (chromatin), and stimulate transcription of messenger RNA (mRNA) and subsequent protein synthesis of various inhibitory enzymes responsible for the anti-inflammatory effects of topical corticosteroids. These anti-inflammatory effects include inhibition of early processes such as edema, fibrin deposition, capillary dilatation, movement of phagocytes into the area, and phagocytic activities. Later processes, such as capillary production, collagen deposition, and keloid formation also are inhibited by corticosteroids. |
| Mechanism_of_action: | In common with other topical corticosteroids, prednicarbate has anti-inflammatory, antipruritic, and vasoconstrictive properties. In general, the mechanism of the anti-inflammatory activity of topical steroids 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. |
| Organisms_affected: | Humans and other mammals |
| Found: 3 nonactive as graph: single | with analogs | 1 2 3 Next >> |
| Species: | 9606 |
| Condition: | TMPPre001 |
| Replicates: | 2 |
| Raw OD Value: r im | 735.0000±0 |
| Normalized OD Score: sc h | 0.9275±0 |
| Z-Score: | -1.6349±0 |
| p-Value: | 0.102063 |
| Z-Factor: | -222.099 |
| Fitness Defect: | 2.2822 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 3 |
| 52421 | [2-(17-ethoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a] phenanthren-17-yl)-2-oxo-ethyl] propanoate |
| 6604434 | [2-[(8S,9S,11R,13R,14R,17R)-17-ethoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-oc tahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] propanoate |
| 6714002 | [2-[(8S,9S,10S,11S,13S,14S,17R)-17-ethoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,1 6-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: 2 |
| Prest1079 | 0.577319587628866 |
| Prest840 | 0.425287356321839 |
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