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: |
DRS2 |
Replicates: |
2 |
Raw OD Value: r im |
0.6896±0.00551543 |
Normalized OD Score: sc h |
1.0086±0.0118535 |
Z-Score: |
0.3687±0.51263 |
p-Value: |
0.729882 |
Z-Factor: |
-8.02985 |
Fitness Defect: |
0.3149 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 3|G3 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 22.40 Celcius | Date: | 2008-01-11 YYYY-MM-DD | Plate CH Control (+): | 0.041624999999999995±0.00044 | Plate DMSO Control (-): | 0.6601±0.01523 | Plate Z-Factor: | 0.9080 |
| png ps pdf |
5702013 |
[(9R,11S)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahyd rocyclopenta[a]phenanthren-17-yl] pentanoate |
6564090 |
[(8R,9R,10R,11S,13R,14R,16R,17S)-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 |
6710678 |
[(9R,10S,13S,16S,17R)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,1 5,16-octahydrocyclopenta[a]phenanthren-17-yl] pentanoate |
7061367 |
[(8R,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 |
7061368 |
[(8R,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 |
7061369 |
[(8R,9R,10S,11S,13S,14R,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 |
internal high similarity DBLink | Rows returned: 3 | |
active | Cluster 9739 | Additional Members: 15 | Rows returned: 1 | |
|