| Compound Information | SONAR Target prediction | | Name: | MEGESTROL ACETATE | | Unique Identifier: | SPE01500381 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 352.254 g/mol | | X log p: | 3.249 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 60.44 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 4 | | Rotatable Bond Count: | 3 | | Canonical Smiles: | CC(=O)OC1(CCC2C3C=C(C)C4=CC(=O)CCC4(C)C3CCC21C)C(C)=O | | Source: | semisynthetic | | Therapeutics: | progestogen, antineoplastic |
| Species: |
4932 |
| Condition: |
TOP1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5384±0.0033234 |
| Normalized OD Score: sc h |
0.9028±0.000451099 |
| Z-Score: |
-1.5680±0.0847285 |
| p-Value: |
0.117537 |
| Z-Factor: |
0.173749 |
| Fitness Defect: |
2.141 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 23|F11 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.70 Celcius | | Date: | 2006-04-26 YYYY-MM-DD | | Plate CH Control (+): | 0.039125±0.00135 | | Plate DMSO Control (-): | 0.581075±0.01562 | | Plate Z-Factor: | 0.9058 |
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ps
pdf |
| 4048 |
(17-acetyl-6,10,13-trimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl)
acetate |
| 11683 |
[(8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[
a]phenanthren-17-yl] acetate |
| 91668 |
[(8R,9R,10R,13S,14S,17R)-17-acetyl-6,13-dimethyl-3-oxo-1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]p
henanthren-17-yl] acetate |
| 200136 |
[(8R,9S,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]p
henanthren-17-yl] acetate |
| 626483 |
(17-acetyl-6,10,13,16-tetramethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl
) acetate |
| 3839280 |
(17-acetyl-10,13-dimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl)
acetate |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 5652 | Additional Members: 7 | Rows returned: 1 | |
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