| Compound Information | SONAR Target prediction |
| Name: | Budesonide |
| Unique Identifier: | LOPAC 00729 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | C25H34O6 |
| Molecular Weight: | 399.288 g/mol |
| X log p: | 4.048 (online calculus) |
| Lipinksi Failures | 0 |
| TPSA | 52.6 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 6 |
| Rotatable Bond Count: | 4 |
| Canonical Smiles: | CCCC1OC2CC3C4CCC5=CC(=O)C=CC5(C)C4C(O)CC3(C)C2(O1)C(=O)CO |
| Class: | Hormone |
| Selectivity: | Cortisol |
| Generic_name: | Budesonide |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA448681 |
| Kegg_compound_id: | C06858 |
| Drugbank_id: | APRD00442 |
| Melting_point: | 221-232 oC |
| H2o_solubility: | insoluble |
| Logp: | 3.145 |
| Cas_registry_number: | 51333-22-3 |
| Drug_category: | Bronchodilator Agents; Anti-inflammatory Agents; Corticosteroids; ATC:A07EA06; ATC:D07AC09; ATC:R01AD05; ATC:R03BA02 |
| Indication: | For the treatment of mild to moderate active Crohn-s disease. |
| Pharmacology: | Budesonide is a synthetic corticosteroid indicated for the treatment of mild to moderate active Crohn-s disease involving the ileum and/or the ascending colon. Budesonide is used in Crohn-s disease to decrease the symptoms and inflammation associated with the disease, especially at times of flare up. Budesonide has a high topical glucocorticosteroid (GCS) activity and a substantial first pass elimination. The formulation contains granules which are coated to protect dissolution in gastric juice, but which dissolve at pH >5.5, ie, normally when the granules reach the duodenum. Thereafter, a matrix of ethylcellulose with budesonide controls the release of the drug into the intestinal lumen in a time-dependent manner. |
| Mechanism_of_action: | The exact mechanism of action of budesonide in the treatment of Crohn-s disease is not fully understood. However, being a glucocorticosteroid, budesonide has a high local anti-inflammatory effect. |
| Organisms_affected: | Humans and other mammals |
| Found: 24 nonactive as graph: single | with analogs | [1] << Back 1 2 3 4 5 6 7 8 9 10 Next >> [24] |
| Species: | 4932 |
| Condition: | GAS1 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.6966±0.00855599 |
| Normalized OD Score: sc h | 1.0235±0.00493152 |
| Z-Score: | 1.1264±0.23726 |
| p-Value: | 0.266676 |
| Z-Factor: | -2.26056 |
| Fitness Defect: | 1.3217 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 13 | << Back 1 2 3 |
| 6957648 |
| internal high similarity DBLink | Rows returned: 1 |
| SPE01500813 | 1.0000 |
| active | Cluster 17014 | Additional Members: 17 | Rows returned: 2 |
| Prest1079 | 0.577319587628866 |
| Prest840 | 0.425287356321839 |
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