Compound Information | SONAR Target prediction | Name: | TRIAMCINOLONE DIACETATE | Unique Identifier: | SPE01500588 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | | Molecular Weight: | 447.261 g/mol | X log p: | 3.975 (online calculus) | Lipinksi Failures | 0 | TPSA | 86.74 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 8 | Rotatable Bond Count: | 6 | Canonical Smiles: | CC(=O)OCC(=O)C1(O)C(CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C)OC(C)=O | Source: | semisynthetic | Therapeutics: | antiinflammatory |
Species: |
4932 |
Condition: |
CCR4 |
Replicates: |
2 |
Raw OD Value: r im |
0.6150±0.00841457 |
Normalized OD Score: sc h |
0.9816±0.00124039 |
Z-Score: |
-0.7867±0.0442385 |
p-Value: |
0.431684 |
Z-Factor: |
-2.74206 |
Fitness Defect: |
0.8401 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 3|A5 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 28.70 Celcius | Date: | 2008-04-16 YYYY-MM-DD | Plate CH Control (+): | 0.041499999999999995±0.00125 | Plate DMSO Control (-): | 0.5936250000000001±0.02090 | Plate Z-Factor: | 0.8614 |
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6216 |
[2-[(8S,9R,10S,11S,13S,14S,16R,17S)-16-acetyloxy-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11, 12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate |
539244 |
[2-(16-acetyloxy-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[ a]phenanthren-17-yl)-2-oxo-ethyl] acetate |
5702127 |
[2-[(9R,10S,11S,13S,16R,17S)-16-acetyloxy-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,1 5,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate |
6546954 |
[2-[(8S,9S,10S,11R,13R,14S,16S,17R)-16-acetyloxy-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11, 12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate |
7059643 |
[2-[(8R,9R,10S,11S,13S,14S,16R,17S)-16-acetyloxy-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11, 12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate |
7061378 |
[2-[(8R,9R,10S,11S,13S,14R,16R,17S)-16-acetyloxy-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11, 12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate |
internal high similarity DBLink | Rows returned: 0 | |
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