| Compound Information | SONAR Target prediction | | Name: | TESTOSTERONE PROPIONATE | | Unique Identifier: | SPE00300034 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | | | Molecular Weight: | 312.234 g/mol | | X log p: | 1.957 (online calculus) | | Lipinksi Failures | 0 | | TPSA | 43.37 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 3 | | Rotatable Bond Count: | 3 | | Canonical Smiles: | CCC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C | | Source: | semisynthetic | | Therapeutics: | androgen, antineoplastic |
| Species: |
4932 |
| Condition: |
pdr1pdr3-21h |
| Replicates: |
2 |
| Raw OD Value: r im |
0.0598±0 |
| Normalized OD Score: sc h |
0.0867±0 |
| Z-Score: |
-12.6579±0 |
| p-Value: |
1.01218e-36 |
| Z-Factor: |
0.837953 |
| Fitness Defect: |
82.881 |
| Bioactivity Statement: |
Toxic |
| Experimental Conditions | | | Library: | SpectrumTMP | | Plate Number and Position: | 1|E10 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 0 nm | | Robot Temperature: | 0.00 Celcius | | Date: | 2006-08-13 YYYY-MM-DD | | Plate CH Control (+): | 0.04145±0.00111 | | Plate DMSO Control (-): | 0.73565±0.03585 | | Plate Z-Factor: | 0.8383 |
|  png
ps
pdf |
| 65157 |
[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phen
anthren-17-yl] undecanoate |
| 85694 |
(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)
cyclohexanecarboxylate |
| 85823 |
(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)
4-methylpentanoate |
| 86744 |
(13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)
cyclohexanecarboxylate |
| 92149 |
[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phen
anthren-17-yl] 2-methylpropanoate |
| 94193 |
[(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phen
anthren-17-yl] undecanoate |
| internal high similarity DBLink | Rows returned: 5 | |
| active | Cluster 2094 | Additional Members: 20 | Rows returned: 6 | |
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