Compound Information | SONAR Target prediction | Name: | METHYLPREDNISOLONE SODIUM SUCCINATE | Unique Identifier: | SPE01503723 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | C26H33NaO8 | Molecular Weight: | 463.263 g/mol | X log p: | 3.113 (online calculus) | Lipinksi Failures | 0 | TPSA | 100.57 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 8 | Rotatable Bond Count: | 7 | Canonical Smiles: | [Na+].[O-]C(=O)CCC(=O)OCC(=O)C1(O)CCC2C3CC(C)C4=CC(=O)C=CC4(C)C3C(O)CC 21C | Therapeutics: | antiinflammatory, glucocorticoid |
Species: |
4932 |
Condition: |
CIN2 |
Replicates: |
2 |
Raw OD Value: r im |
0.8263±0.00721249 |
Normalized OD Score: sc h |
1.0033±0.00610329 |
Z-Score: |
0.1804±0.340867 |
p-Value: |
0.812548 |
Z-Factor: |
-31.0584 |
Fitness Defect: |
0.2076 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 5|H5 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 24.40 Celcius | Date: | 2006-02-14 YYYY-MM-DD | Plate CH Control (+): | 0.03949999999999999±0.00126 | Plate DMSO Control (-): | 0.7910250000000001±0.02006 | Plate Z-Factor: | 0.8856 |
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6560320 |
4-[2-[(8R,9S,10R,11S,13R,14S,17S)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H -cyclopenta[a]phenanthren-17-yl]-2-oxo-ethoxy]-4-oxo-butanoic acid |
6708814 |
4-[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-ethoxy]-4-oxo-butanoic acid |
7060965 |
4-[2-[(8S,9R,10S,11S,13S,14R,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H -cyclopenta[a]phenanthren-17-yl]-2-oxo-ethoxy]-4-oxo-butanoate |
7060966 |
4-[2-[(8S,9R,10S,11S,13S,14R,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H -cyclopenta[a]phenanthren-17-yl]-2-oxo-ethoxy]-4-oxo-butanoic acid |
7060967 |
4-[2-[(8S,9S,10S,11S,13S,14R,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H -cyclopenta[a]phenanthren-17-yl]-2-oxo-ethoxy]-4-oxo-butanoate |
7060968 |
4-[2-[(8S,9S,10S,11S,13S,14R,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H -cyclopenta[a]phenanthren-17-yl]-2-oxo-ethoxy]-4-oxo-butanoic acid |
internal high similarity DBLink | Rows returned: 5 | |
active | Cluster 8234 | Additional Members: 4 | Rows returned: 0 | |
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