| Compound Information | SONAR Target prediction |
| Name: | BETAMETHASONE VALERATE |
| Unique Identifier: | SPE01500145 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | |
| Molecular Weight: | 439.284 g/mol |
| X log p: | 4.049 (online calculus) |
| Lipinksi Failures | 0 |
| TPSA | 60.44 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 6 |
| Rotatable Bond Count: | 7 |
| Canonical Smiles: | CCCCC(=O)OC1(C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C)C(=O)CO |
| Source: | semisynthetic |
| Therapeutics: | glucocorticoid |
| Found: 205 nonactive as graph: single | with analogs | [1] << Back 201 202 203 204 205 Next >> [205] |
| Species: | 4932 |
| Condition: | MKK1 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.8470±0.0155563 |
| Normalized OD Score: sc h | 0.9760±0.00134408 |
| Z-Score: | -0.6850±0.000319379 |
| p-Value: | 0.493352 |
| Z-Factor: | -1.98455 |
| Fitness Defect: | 0.7065 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 13 | << Back 1 2 3 |
| 7061370 | [(8R,9R,10S,11S,13S,14R,16S,17R)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8 ,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] pentanoate |
| internal high similarity DBLink | Rows returned: 3 |
| SPE01500300 | 0.9238 |
| SPE01500231 | 0.9694 |
| SPE01503210 | 0.9899 |
| active | Cluster 9739 | Additional Members: 15 | Rows returned: 1 |
| Prest25 | 0.376470588235294 |
Service provided by the
Mike Tyers Laboratory