| 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: |
SPE00100528 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.3165±0 |
| Normalized OD Score: sc h |
0.4584±0 |
| Z-Score: |
-9.5419±0 |
| p-Value: |
1.40195e-21 |
| Z-Factor: |
0.894909 |
| Fitness Defect: |
48.0164 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | SpectrumTMP | | Plate Number and Position: | 1|E9 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 0 nm | | Robot Temperature: | 0.00 Celcius | | Date: | 2006-08-13 YYYY-MM-DD | | Plate CH Control (+): | 0.0411±0.00061 | | Plate DMSO Control (-): | 0.71195±0.01339 | | Plate Z-Factor: | 0.9371 |
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ps
pdf |
| 7322105 |
[(3S,8S,9R,10R,13R,14S,17S)-10,13-dimethyl-17-[(2S)-6-oxoheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dode
cahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate |
| 7322106 |
[(3S,8S,9R,10R,13R,14S,17S)-10,13-dimethyl-17-[(2R)-6-oxoheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dode
cahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate |
| 7322108 |
[(3S,8S,9R,10R,13R,14S,17R)-10,13-dimethyl-17-[(2S)-6-oxoheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dode
cahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate |
| 7322109 |
[(3S,8S,9R,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-oxoheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dode
cahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate |
| 7565857 |
[(3R,8S,9R,10S,13R,14R,17R)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclop
enta[a]phenanthren-3-yl] acetate |
| 16055781 |
n/a |
| internal high similarity DBLink | Rows returned: 8 | 1 2 Next >> |
| active | Cluster 7902 | Additional Members: 9 | Rows returned: 3 | |
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