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: |
MCK1 |
Replicates: |
2 |
Raw OD Value: r im |
0.3078±0.0649831 |
Normalized OD Score: sc h |
0.5162±0.115472 |
Z-Score: |
-20.4054±3.30348 |
p-Value: |
0 |
Z-Factor: |
-1.61455 |
Fitness Defect: |
INF |
Bioactivity Statement: |
Active |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 11|B3 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 26.50 Celcius | Date: | 2007-11-13 YYYY-MM-DD | Plate CH Control (+): | 0.040825±0.00210 | Plate DMSO Control (-): | 0.587575±0.14567 | Plate Z-Factor: | 0.1306 |
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259868 |
tert-butyl 2-[(3S,8S,9S,10R,13R,14S,17R)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cy clopenta[a]phenanthren-17-yl]propanoate |
289866 |
(17-acetyl-6,10,13-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) acetate |
313058 |
4-(3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-y l)pentanoic acid |
313844 |
[10,13-dimethyl-17-(5-methyl-3-oxo-hexan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a ]phenanthren-3-yl] acetate |
536372 |
3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-17-car boxylic acid |
537191 |
methyl 4-(3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-y l)pentanoate |
internal high similarity DBLink | Rows returned: 8 | 1 2 Next >> |
active | Cluster 7902 | Additional Members: 9 | Rows returned: 3 | |
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