| 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: |
BRE1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6010±0.0547301 |
| Normalized OD Score: sc h |
0.8552±0.0791442 |
| Z-Score: |
-5.8467±3.15545 |
| p-Value: |
0.000149875 |
| Z-Factor: |
-1.2064 |
| Fitness Defect: |
8.8057 |
| Bioactivity Statement: |
Outlier |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 11|B3 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.80 Celcius | | Date: | 2006-03-16 YYYY-MM-DD | | Plate CH Control (+): | 0.038474999999999995±0.00168 | | Plate DMSO Control (-): | 0.6942250000000001±0.01455 | | Plate Z-Factor: | 0.9317 |
|  png
ps
pdf |
| 6710660 |
[(3S,10R,13S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-y
l] acetate |
| 6713795 |
(2S)-2-[(3S,8R,9S,10R,13S,14R,17S)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-
1H-cyclopenta[a]phenanthren-17-yl]propanoic acid |
| 6925432 |
[(3R,8R,9S,10S,13R,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 |
| 6954086 |
[(3S,8R,9R,10S,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 |
| 6954087 |
[(3R,8R,9R,10S,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 |
| 6956350 |
[(3R,8R,9S,10R,13R,14S,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 |
| internal high similarity DBLink | Rows returned: 8 | 1 2 Next >> |
| active | Cluster 7902 | Additional Members: 9 | Rows returned: 3 | |
|
