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: |
BIK1 |
Replicates: |
2 |
Raw OD Value: r im |
0.6683±0.000919239 |
Normalized OD Score: sc h |
0.9703±0.00661304 |
Z-Score: |
-1.2995±0.279333 |
p-Value: |
0.202444 |
Z-Factor: |
-3.98657 |
Fitness Defect: |
1.5973 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 5|H5 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 23.70 Celcius | Date: | 2007-11-08 YYYY-MM-DD | Plate CH Control (+): | 0.0406±0.00107 | Plate DMSO Control (-): | 0.672175±0.02435 | Plate Z-Factor: | 0.8754 |
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1875 |
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-butanoic acid |
4897 |
4-[2-(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 |
15582 |
sodium 4-[2-(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 |
16922 |
sodium 4-[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]-4-oxo-butanoate |
16923 |
4-[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]-4-oxo-butanoic acid |
63017 |
4-[[(6S,8S,9S,10S,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-3-oxo-7,8,9,11,12,1 4,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]oxy]-4-oxo-butanoic acid |
internal high similarity DBLink | Rows returned: 5 | |
active | Cluster 8234 | Additional Members: 4 | Rows returned: 0 | |
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