| 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: |
TRK1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.4254±0.021991 |
| Normalized OD Score: sc h |
0.9018±0.0308782 |
| Z-Score: |
-3.0328±0.940254 |
| p-Value: |
0.00905148 |
| Z-Factor: |
-2.45248 |
| Fitness Defect: |
4.7048 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 18|G5 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.70 Celcius | | Date: | 2008-03-14 YYYY-MM-DD | | Plate CH Control (+): | 0.0402±0.00032 | | Plate DMSO Control (-): | 0.46295±0.02646 | | Plate Z-Factor: | 0.7886 |
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ps
pdf |
| 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 | |
|
