| 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: |
PDE1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7958±0.00763675 |
| Normalized OD Score: sc h |
0.9997±0.00678178 |
| Z-Score: |
-0.0168±0.245118 |
| p-Value: |
0.862416 |
| Z-Factor: |
-21.2633 |
| Fitness Defect: |
0.148 |
| 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: | 2006-05-11 YYYY-MM-DD | | Plate CH Control (+): | 0.038224999999999995±0.00110 | | Plate DMSO Control (-): | 0.7745±0.01238 | | Plate Z-Factor: | 0.9485 |
|  png
ps
pdf |
| 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 | |
|
