Compound Information | SONAR Target prediction | Name: | DIFLUCORTOLONE PIVALATE | Unique Identifier: | SPE01503299 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | C27F2H36O5 | Molecular Weight: | 442.283 g/mol | X log p: | 5.144 (online calculus) | Lipinksi Failures | 1 | TPSA | 60.44 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 5 | Rotatable Bond Count: | 5 | Canonical Smiles: | CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1C(=O)COC(=O)C(C)(C)C | Therapeutics: | glucocorticoid, antiinflammatory |
Species: |
4932 |
Condition: |
GPR1 |
Replicates: |
2 |
Raw OD Value: r im |
0.6724±0.0186676 |
Normalized OD Score: sc h |
0.8709±0.016298 |
Z-Score: |
-3.6452±0.235563 |
p-Value: |
0.00032103 |
Z-Factor: |
-0.150657 |
Fitness Defect: |
8.044 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 10|C4 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 25.80 Celcius | Date: | 2006-03-02 YYYY-MM-DD | Plate CH Control (+): | 0.038825±0.00043 | Plate DMSO Control (-): | 0.7429749999999999±0.02503 | Plate Z-Factor: | 0.8964 |
| png ps pdf |
3057 |
[2-(6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phe nanthren-17-yl)-2-oxo-ethyl] 2,2-dimethylpropanoate |
3058 |
[2-(6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phe nanthren-17-yl)-2-oxo-ethyl] pentanoate |
66381 |
[2-[(6S,8S,9R,10S,11S,13S,14S,16R,17S)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15, 16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] 2,2-dimethylpropanoate |
91670 |
[2-[(6S,8S,9R,10S,11S,13S,14S,16R,17S)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15, 16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] pentanoate |
133141 |
[2-[(6S,8S,10S,11S,13S,14S,16R,17S)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16, 17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] pentanoate |
5702241 |
[2-[(6S,11S,16R)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyc lopenta[a]phenanthren-17-yl]-2-oxo-ethyl] 2,2-dimethylpropanoate |
internal high similarity DBLink | Rows returned: 1 | |
active | Cluster 15366 | Additional Members: 3 | Rows returned: 0 | |
|