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: |
SPE01504180 |
Replicates: |
2 |
Raw OD Value: r im |
0.6445±0.0205061 |
Normalized OD Score: sc h |
0.9925±0.0186064 |
Z-Score: |
-0.4963±1.13782 |
p-Value: |
0.4756 |
Z-Factor: |
-5.48387 |
Fitness Defect: |
0.7432 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | SpectrumTMP | Plate Number and Position: | 1|H9 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 22.50 Celcius | Date: | 2006-11-29 YYYY-MM-DD | Plate CH Control (+): | 0.038275±0.00169 | Plate DMSO Control (-): | 0.679125±0.03636 | Plate Z-Factor: | 0.8596 |
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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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