| 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: |
APC9 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6922±0.00403051 |
| Normalized OD Score: sc h |
0.9914±0.000111643 |
| Z-Score: |
-0.4679±0.0131192 |
| p-Value: |
0.639898 |
| Z-Factor: |
-16.5019 |
| Fitness Defect: |
0.4464 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 5|H5 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 21.70 Celcius | | Date: | 2007-11-22 YYYY-MM-DD | | Plate CH Control (+): | 0.041374999999999995±0.00052 | | Plate DMSO Control (-): | 0.687425±0.02326 | | Plate Z-Factor: | 0.8902 |
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ps
pdf |
| 257628 |
3-[2-[(6S,8S,9S,10S,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahy
dro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethoxy]carbonyl-2-ethyl-pentanoic acid |
| 443929 |
sodium
4-[2-[(8S,9S,10S,11S,13S,14S,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 |
| 656804 |
4-[2-[(8S,9S,10S,11S,13S,14S,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 |
| 4392599 |
3-[2-(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]carbonyl-2-ethyl-pentanoic acid |
| 5108833 |
4-[2-(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-butanoate |
| 6560319 |
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-butanoate |
| internal high similarity DBLink | Rows returned: 5 | |
| nonactive | Cluster 8234 | Additional Members: 4 | Rows returned: 3 | |
|
