| Compound Information | SONAR Target prediction | | Name: | BETAMETHASONE 17,21-DIPROPIONATE | | Unique Identifier: | SPE01503210 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 467.294 g/mol | | X log p: | 4.522 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 86.74 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 7 | | Rotatable Bond Count: | 8 | | Canonical Smiles: | CCC(=O)OCC(=O)C1(OC(=O)CC)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C | | Source: | semisynthetic | | Therapeutics: | glucocorticoid, antiinflammatory |
| Species: |
4932 |
| Condition: |
SMI1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.4539±0.0271529 |
| Normalized OD Score: sc h |
0.7015±0.0349332 |
| Z-Score: |
-6.2624±0.202137 |
| p-Value: |
0.000000000544496 |
| Z-Factor: |
0.375475 |
| Fitness Defect: |
21.3312 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 10|A7 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.60 Celcius | | Date: | 2005-12-20 YYYY-MM-DD | | Plate CH Control (+): | 0.03875000000000001±0.00246 | | Plate DMSO Control (-): | 0.6314±0.01665 | | Plate Z-Factor: | 0.9302 |
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ps
pdf |
| 4630258 |
[9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-(2-propanoyloxyacetyl)-6,7,8,11,12,14,15,16-octahydrocy
clopenta[a]phenanthren-17-yl] butanoate |
| 6553933 |
[2-[(8S,9S,10S,11R,13R,14S,16S,17S)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-6,7,8,1
1,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] propanoate |
| 6576662 |
[2-[(8R,9R,10R,11S,13R,14R,16R,17R)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-pentanoyloxy-6,7,8,1
1,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] pentanoate |
| 6708733 |
[2-[(10S,11S,13S,16S,17R)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-6,7,8,11,12,14,15
,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] propanoate |
| internal high similarity DBLink | Rows returned: 3 | |
| active | Cluster 1865 | Additional Members: 13 | Rows returned: 2 | |
|
