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 |
Species: |
4932 |
Condition: |
FAA2 |
Replicates: |
2 |
Raw OD Value: r im |
0.6602±0.0152735 |
Normalized OD Score: sc h |
0.9792±0.000423177 |
Z-Score: |
-1.1494±0.106499 |
p-Value: |
0.25173 |
Z-Factor: |
-3.14789 |
Fitness Defect: |
1.3794 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 3|G3 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 25.30 Celcius | Date: | 2008-05-27 YYYY-MM-DD | Plate CH Control (+): | 0.040325±0.00088 | Plate DMSO Control (-): | 0.662125±0.01272 | Plate Z-Factor: | 0.9145 |
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16533 |
[(8S,9R,10S,11S,13S,14S,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 |
63045 |
[(8S,9R,10S,11S,13S,14S,16R,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] propanoate |
63047 |
[(8S,9R,10S,11S,13S,14S,16R,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 |
93007 |
[(8S,9R,10S,11S,13S,14S,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] propanoate |
171259 |
[(8S,10S,11S,13S,14S,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 |
578771 |
[9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclope nta[a]phenanthren-17-yl] pentanoate |
internal high similarity DBLink | Rows returned: 3 | |
active | Cluster 9739 | Additional Members: 15 | Rows returned: 1 | |
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