| 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: |
KRE1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6267±0.00289914 |
| Normalized OD Score: sc h |
1.0016±0.00153073 |
| Z-Score: |
0.1078±0.0852911 |
| p-Value: |
0.9143 |
| Z-Factor: |
-14.0289 |
| Fitness Defect: |
0.0896 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 9|C4 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 29.50 Celcius | | Date: | 2008-04-02 YYYY-MM-DD | | Plate CH Control (+): | 0.043399999999999994±0.00323 | | Plate DMSO Control (-): | 0.60765±0.02344 | | Plate Z-Factor: | 0.8522 |
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ps
pdf |
| 4895 |
[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-y
l)-2-oxo-ethyl] acetate |
| 5834 |
[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-c
yclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate |
| 5877 |
[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-octahydr
o-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate |
| 247936 |
[2-[(6R,8S,9S,10S,11S,13S,14S,17R)-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 |
| 584547 |
[2-(11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-1
7-yl)-2-oxo-ethyl] acetate |
| 5702107 |
[2-[(11S,13S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]ph
enanthren-17-yl]-2-oxo-ethyl] acetate |
| internal high similarity DBLink | Rows returned: 6 | |
| nonactive | Cluster 8234 | Additional Members: 4 | Rows returned: 3 | |
|
