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: |
TOP1 |
Replicates: |
2 |
Raw OD Value: r im |
0.3401±0.0137886 |
Normalized OD Score: sc h |
1.0091±0.0065755 |
Z-Score: |
0.0809±0.0621693 |
p-Value: |
0.935554 |
Z-Factor: |
-11.7145 |
Fitness Defect: |
0.0666 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 11|E9 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 24.50 Celcius | Date: | 2006-04-25 YYYY-MM-DD | Plate CH Control (+): | 0.038775000000000004±0.00153 | Plate DMSO Control (-): | 0.3394499999999999±0.02006 | Plate Z-Factor: | 0.7505 |
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3680 |
[2-(9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenant hren-17-yl)-2-oxo-ethyl] acetate |
9563 |
[2-[(9R,11S)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]ph enanthren-17-yl]-2-oxo-ethyl] acetate |
13802 |
[2-[(9R,11S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydr ocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate |
27485 |
[1-(9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren -17-yl)-1-oxo-propan-2-yl] acetate |
66257 |
[(2S)-1-[(8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16- octahydrocyclopenta[a]phenanthren-17-yl]-1-oxo-propan-2-yl] acetate |
122054 |
[2-[(8S,9R,10S,13S,14S,16S,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 |
internal high similarity DBLink | Rows returned: 4 | |
active | Cluster 1865 | Additional Members: 13 | Rows returned: 3 | |
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