| Compound Information | SONAR Target prediction | | Name: | PRASTERONE ACETATE | | Unique Identifier: | SPE00270029 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 300.223 g/mol | | X log p: | 1.393 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 43.37 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 3 | | Rotatable Bond Count: | 2 | | Canonical Smiles: | CC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4=O)C3CC=C2C1 | | Source: | semisynthetic | | Therapeutics: | adrenocortical hormone, antidepressant |
| Species: |
4932 |
| Condition: |
PDE1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5705±0.0205768 |
| Normalized OD Score: sc h |
0.7209±0.0191551 |
| Z-Score: |
-10.0572±0.325137 |
| p-Value: |
4.33398e-23 |
| Z-Factor: |
0.617709 |
| Fitness Defect: |
51.493 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 11|B3 | | 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 |
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ps
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| 7079541 |
ethyl
(3S)-3-[(3S,8S,9R,10R,13R,14S,17R)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-
1H-cyclopenta[a]phenanthren-17-yl]butanoate |
| 7081727 |
[(3R,8R,9S,10R,13S,14R,16R,17R)-16-ethyl-10,13-dimethyl-17-propanoyl-2,3,4,7,8,9,11,12,14,15,16,17-dodec
ahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate |
| 7081728 |
[(3R,8R,9S,10R,13S,14S,16R,17R)-16-ethyl-10,13-dimethyl-17-propanoyl-2,3,4,7,8,9,11,12,14,15,16,17-dodec
ahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate |
| 7081729 |
[(3R,8S,9S,10R,13S,14R,16R,17R)-16-ethyl-10,13-dimethyl-17-propanoyl-2,3,4,7,8,9,11,12,14,15,16,17-dodec
ahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate |
| 7081730 |
[(3R,8S,9S,10R,13S,14S,16R,17R)-16-ethyl-10,13-dimethyl-17-propanoyl-2,3,4,7,8,9,11,12,14,15,16,17-dodec
ahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate |
| 7087836 |
[(3R,8S,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phena
nthren-3-yl] acetate |
| internal high similarity DBLink | Rows returned: 8 | 1 2 Next >> |
| active | Cluster 7902 | Additional Members: 9 | Rows returned: 3 | |
|
