| 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: |
MKK1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.8525±0.0799031 |
| Normalized OD Score: sc h |
1.0028±0.00827252 |
| Z-Score: |
0.0746±0.231812 |
| p-Value: |
0.870156 |
| Z-Factor: |
-848.686 |
| Fitness Defect: |
0.1391 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum_ED | | Plate Number and Position: | 3|A2 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 595 nm | | Robot Temperature: | 30.00 Celcius | | Date: | 2010-08-10 YYYY-MM-DD | | Plate CH Control (+): | 0.096±0.01033 | | Plate DMSO Control (-): | 0.9650000000000001±0.01547 | | Plate Z-Factor: | 0.8823 |
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ps
pdf |
| 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 | |
|
