Compound Information | SONAR Target prediction | Name: | FLUDROCORTISONE ACETATE | Unique Identifier: | SPE01500299 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | | Molecular Weight: | 391.241 g/mol | X log p: | -0.363 (online calculus) | Lipinksi Failures | 0 | TPSA | 60.44 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 6 | Rotatable Bond Count: | 4 | Canonical Smiles: | CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3(F)C(O)CC21C | Source: | semisynthetic | Therapeutics: | mineralocorticoid |
Species: |
4932 |
Condition: |
ROT2 |
Replicates: |
2 |
Raw OD Value: r im |
0.8129±0.00735391 |
Normalized OD Score: sc h |
1.0033±0.000844167 |
Z-Score: |
0.1555±0.0420328 |
p-Value: |
0.876506 |
Z-Factor: |
-5.62584 |
Fitness Defect: |
0.1318 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 12|B4 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 26.30 Celcius | Date: | 2006-05-05 YYYY-MM-DD | Plate CH Control (+): | 0.039474999999999996±0.00197 | Plate DMSO Control (-): | 0.794825±0.01868 | Plate Z-Factor: | 0.9149 |
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3370 |
[2-(9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenant hren-17-yl)-2-oxo-ethyl] acetate |
10572 |
[2-[(9R)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]ph enanthren-17-yl]-2-oxo-ethyl] acetate |
31719 |
[2-[(2S,8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-2,10,13-trimethyl-3-oxo-1,2,6,7,8,11,12,14,1 5,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate |
102142 |
[2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-1,2,6,7,8,11,12,14 ,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate |
224247 |
[2-[(2R,8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-2,10,13-trimethyl-3-oxo-1,2,6,7,8,11,12,14,1 5,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate |
225609 |
[2-[(8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-d ecahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate |
internal high similarity DBLink | Rows returned: 2 | |
active | Cluster 13203 | Additional Members: 4 | Rows returned: 0 | |
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