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: |
WHI5 |
Replicates: |
2 |
Raw OD Value: r im |
0.6161±0.00127279 |
Normalized OD Score: sc h |
0.9266±0.000675233 |
Z-Score: |
-2.6043±0.178982 |
p-Value: |
0.00976958 |
Z-Factor: |
-1.15314 |
Fitness Defect: |
4.6285 |
Bioactivity Statement: |
Nonactive |
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: | 2008-09-16 YYYY-MM-DD | Plate CH Control (+): | 0.0416±0.00077 | Plate DMSO Control (-): | 0.655525±0.02870 | Plate Z-Factor: | 0.8560 |
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3001 |
[2-(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 |
4042 |
(17-acetyl-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl) acetate |
5952 |
[2-[(8S,9S,10R,13R,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]p henanthren-17-yl]-2-oxo-ethyl] acetate |
6279 |
[(6S,8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cycl openta[a]phenanthren-17-yl] acetate |
9325 |
[(9S,14S,17R)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanth ren-17-yl] acetate |
32789 |
[(9S,11S,14S,17R)-17-acetyl-11,13-dimethyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]p henanthren-17-yl] acetate |
internal high similarity DBLink | Rows returned: 2 | |
active | Cluster 18089 | Additional Members: 2 | Rows returned: 0 | |
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