Compound Information | SONAR Target prediction | Name: | DEXAMETHASONE ACETATE | Unique Identifier: | SPE01500231 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | | Molecular Weight: | 404.26 g/mol | X log p: | 4.126 (online calculus) | Lipinksi Failures | 0 | TPSA | 60.44 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 6 | Rotatable Bond Count: | 4 | Canonical Smiles: | CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)COC(C)=O | Source: | semisynthetic | Therapeutics: | glucocorticoid, antiinflammatory |
Species: |
4932 |
Condition: |
UBP6 |
Replicates: |
2 |
Raw OD Value: r im |
0.5753±0.00579828 |
Normalized OD Score: sc h |
0.9575±0.0205219 |
Z-Score: |
-1.7430±0.9316 |
p-Value: |
0.14728 |
Z-Factor: |
-2.53074 |
Fitness Defect: |
1.9154 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 3|H4 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 23.10 Celcius | Date: | 2008-01-24 YYYY-MM-DD | Plate CH Control (+): | 0.04195±0.00045 | Plate DMSO Control (-): | 0.565±0.01930 | Plate Z-Factor: | 0.8947 |
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499988 |
[2-(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 |
656823 |
[2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15, 16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate hydrate |
1150657 |
[2-[(8R,9S,10R,11R,13R,14R,16S,17S)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15, 16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate |
5284539 |
[2-[(8S,9R,10S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-o ctahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate |
5702036 |
[2-[(9R,10S,11S,13S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octa hydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate |
6551035 |
[2-[(8R,9S,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-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: 4 | |
active | Cluster 1865 | Additional Members: 13 | Rows returned: 3 | |
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