| 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: |
SER1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.2774±0.0337997 |
| Normalized OD Score: sc h |
0.4767±0.0472116 |
| Z-Score: |
-16.5103±1.94035 |
| p-Value: |
0 |
| Z-Factor: |
-1.09114 |
| 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: | 26.40 Celcius | | Date: | 2007-09-17 YYYY-MM-DD | | Plate CH Control (+): | 0.039650000000000005±0.00048 | | Plate DMSO Control (-): | 0.5706249999999999±0.14687 | | Plate Z-Factor: | 0.0827 |
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ps
pdf |
| 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 | |
|
