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: |
SPE00201610 |
Replicates: |
2 |
Raw OD Value: r im |
0.0476±0 |
Normalized OD Score: sc h |
0.0699±0 |
Z-Score: |
-4.8719±0 |
p-Value: |
0.00000110529 |
Z-Factor: |
0.871862 |
Fitness Defect: |
13.7154 |
Bioactivity Statement: |
Toxic |
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 (+): | 0.03995±0.00097 | Plate DMSO Control (-): | 0.6949±0.02750 | Plate Z-Factor: | 0.8691 |
| png ps pdf |
6973733 |
[(1R,8S,9S,10S,13S,14R,16S,17R)-17-acetyl-10,13,16,17-tetramethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahyd rocyclopenta[a]phenanthren-1-yl] acetate |
6981574 |
n/a |
6994442 |
(3R,8S,9R,10S,13R,14S,17S)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclo penta[a]phenanthrene-17-carboxylate |
6994443 |
(3R,8S,9R,10S,13R,14S,17S)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclo penta[a]phenanthrene-17-carboxylic acid |
7002017 |
(4R)-4-[(3S,8R,9R,10R,13R,14S,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]pentanoate |
7002018 |
(4R)-4-[(3S,8R,9R,10R,13R,14S,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]pentanoic acid |
internal high similarity DBLink | Rows returned: 8 | 1 2 Next >> |
active | Cluster 7902 | Additional Members: 9 | Rows returned: 3 | |
|