| Compound Information | SONAR Target prediction | | Name: | PREDNISOLONE ACETATE | | Unique Identifier: | SPE01500497 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 372.242 g/mol | | X log p: | 3.68 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 60.44 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 6 | | Rotatable Bond Count: | 4 | | Canonical Smiles: | CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC21C | | Source: | semisynthetic | | Therapeutics: | glucocorticoid |
| Species: |
4932 |
| Condition: |
CIN8 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6673±0.00374767 |
| Normalized OD Score: sc h |
0.9920±0.00252663 |
| Z-Score: |
0.2119±0.14078 |
| p-Value: |
0.833006 |
| Z-Factor: |
-8.66151 |
| Fitness Defect: |
0.1827 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 2|F2 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 21.60 Celcius | | Date: | 2008-02-06 YYYY-MM-DD | | Plate CH Control (+): | 0.04095±0.00071 | | Plate DMSO Control (-): | 0.6662250000000001±0.01685 | | Plate Z-Factor: | 0.9313 |
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ps
pdf |
| 6546950 |
[2-[(6R,8S,9S,10S,11R,13R,14R,17S)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydr
o-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate |
| 6546952 |
[2-[(8S,9R,10S,11R,13R,14S,17S)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-c
yclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate |
| 6568657 |
[2-[(8R,9S,10R,11S,13R,14R,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-c
yclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate |
| 6708799 |
[2-[(6S,11S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]
phenanthren-17-yl]-2-oxo-ethyl] acetate |
| 6957661 |
[2-[(6R,8R,9S,10S,11R,13R,14R,17S)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydr
o-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate |
| 6957665 |
[2-[(8R,9S,10S,11R,13S,14S,17S)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-c
yclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate |
| internal high similarity DBLink | Rows returned: 6 | |
| active | Cluster 17014 | Additional Members: 17 | Rows returned: 2 | |
|
