| 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: |
AAT2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7110±0.0104652 |
| Normalized OD Score: sc h |
0.9787±0.000735724 |
| Z-Score: |
-1.1331±0.0642539 |
| p-Value: |
0.257678 |
| Z-Factor: |
-1.58027 |
| Fitness Defect: |
1.356 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 3|H4 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 23.50 Celcius | | Date: | 2008-04-08 YYYY-MM-DD | | Plate CH Control (+): | 0.039724999999999996±0.00061 | | Plate DMSO Control (-): | 0.71515±0.01123 | | Plate Z-Factor: | 0.9461 |
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ps
pdf |
| 224246 |
[2-[(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-octah
ydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate |
| 236702 |
[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 |
| 247935 |
[2-[(6S,8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-6,7,8,11,12,14,15,16
-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate |
| 249434 |
[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-octah
ydrocyclopenta[a]phenanthren-17-yl]-1-oxo-propan-2-yl] acetate |
| 443967 |
[2-[(8S,9R,10S,11S,13S,14S,16S,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 |
| 494005 |
[2-(9-fluoro-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanth
ren-17-yl)-2-oxo-ethyl] acetate |
| internal high similarity DBLink | Rows returned: 4 | |
| active | Cluster 1865 | Additional Members: 13 | Rows returned: 3 | |
|
