Compound Information | SONAR Target prediction | Name: | 6alpha-METHYLPREDNISOLONE ACETATE | Unique Identifier: | SPE01503254 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | | Molecular Weight: | 384.253 g/mol | X log p: | 3.941 (online calculus) | Lipinksi Failures | 0 | TPSA | 60.44 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 6 | Rotatable Bond Count: | 4 | Canonical Smiles: | CC1CC2C3CCC(O)(C(=O)COC(C)=O)C3(C)CC(O)C2C2(C)C=CC(=O)C=C12 | Source: | semisynthetic | Therapeutics: | glucocorticoid |
Species: |
4932 |
Condition: |
BCK1 |
Replicates: |
2 |
Raw OD Value: r im |
0.7162±0.0130108 |
Normalized OD Score: sc h |
1.0107±0.0108918 |
Z-Score: |
0.1549±0.210107 |
p-Value: |
0.878272 |
Z-Factor: |
-15.3528 |
Fitness Defect: |
0.1298 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 9|C4 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 24.10 Celcius | Date: | 2008-05-14 YYYY-MM-DD | Plate CH Control (+): | 0.039875±0.00072 | Plate DMSO Control (-): | 0.697275±0.01500 | Plate Z-Factor: | 0.9315 |
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7001033 |
[2-[(8R,9S,10S,11S,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 |
7048760 |
[2-[(8S,9R,10R,11S,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 |
7048761 |
[2-[(8S,9R,10R,11S,13S,14S,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 |
7048762 |
[2-[(8S,9R,10R,11S,13S,14R,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 |
7048763 |
[2-[(8S,9R,10R,11S,13S,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 |
7059632 |
[2-[(8R,9S,10S,11S,13S,14S,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 |
internal high similarity DBLink | Rows returned: 6 | |
active | Cluster 8234 | Additional Members: 4 | Rows returned: 0 | |
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