Compound Information | SONAR Target prediction | Name: | MEDROXYPROGESTERONE ACETATE | Unique Identifier: | SPE01500379 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | | Molecular Weight: | 352.254 g/mol | X log p: | 1.176 (online calculus) | Lipinksi Failures | 0 | TPSA | 60.44 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 4 | Rotatable Bond Count: | 3 | Canonical Smiles: | CC1CC2C(CCC3(C)C2CCC3(OC(C)=O)C(C)=O)C2(C)CCC(=O)C=C12 | Source: | semisynthetic | Therapeutics: | contraceptive |
Species: |
4932 |
Condition: |
SPT3 |
Replicates: |
2 |
Raw OD Value: r im |
0.2660±0.0115966 |
Normalized OD Score: sc h |
0.6347±0.00835592 |
Z-Score: |
-5.7898±0.395465 |
p-Value: |
0.00000001857 |
Z-Factor: |
0.464586 |
Fitness Defect: |
17.8017 |
Bioactivity Statement: |
Active |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 18|G5 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 26.00 Celcius | Date: | 2008-02-13 YYYY-MM-DD | Plate CH Control (+): | 0.040975±0.00040 | Plate DMSO Control (-): | 0.401625±0.02216 | Plate Z-Factor: | 0.8040 |
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3503513 |
(1-acetyl-2,10a,12a-trimethyl-8-oxo-2,3,4,4a,4b,5,6,9,10,10b,11,12-dodecahydrochrysen-1-yl) acetate |
3995757 |
(10,13-dimethyl-3-oxo-17-propanoyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl) acetate |
5702034 |
[2-[(10R,13R,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren -17-yl]-2-oxo-ethyl] acetate |
5702080 |
[(6S,10R,13S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]p henanthren-17-yl] acetate |
6432547 |
[(6S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthr en-17-yl] acetate |
6546600 |
[(8R,9R,10R,13R,14S,17S)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta [a]phenanthren-17-yl] acetate |
internal high similarity DBLink | Rows returned: 2 | |
active | Cluster 18089 | Additional Members: 2 | Rows returned: 0 | |
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