Compound Information | SONAR Target prediction | Name: | ANDROSTERONE ACETATE | Unique Identifier: | SPE00107113 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | | Molecular Weight: | 301.231 g/mol | X log p: | -0.0390000000000001 (online calculus) | Lipinksi Failures | 0 | TPSA | 43.37 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 3 | Rotatable Bond Count: | 2 | Canonical Smiles: | CC(=O)OC1CCC2(C)C(CCC3C2CCC2(C)C3CCC2=O)C1 | Source: | semisynthetic | Therapeutics: | androgen |
Species: |
4932 |
Condition: |
MT2481-pdr1pdr3-2nd |
Replicates: |
2 |
Raw OD Value: r im |
0.2716±0.028355 |
Normalized OD Score: sc h |
0.6388±0.0568498 |
Z-Score: |
-8.7343±2.94128 |
p-Value: |
0.0000000000142183 |
Z-Factor: |
-2.3237 |
Fitness Defect: |
24.9765 |
Bioactivity Statement: |
Active |
Experimental Conditions | | Library: | SPECMTS3 | Plate Number and Position: | 9|A6 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 24.80 Celcius | Date: | 2008-08-22 YYYY-MM-DD | Plate CH Control (+): | 0.040124999999999994±0.00055 | Plate DMSO Control (-): | 0.5677500000000001±0.00837 | Plate Z-Factor: | 0.9501 |
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196290 |
[(3R,4aS,6aR,6aR,6bR,8aR,9R,12aR,14aS,14bS)-2,2,4a,6a,6a,8a,9,14a-octamethyl-10-oxo-3,4,5,6,6b,7,8,9,11, 12,12a,13,14,14b-tetradecahydro-1H-picen-3-yl] acetate |
222098 |
tert-butyl 12-acetyloxyoctadecanoate |
222827 |
[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3-acetyloxy-10,13-dimethyl-17-[(2R)-4-oxobutan-2-yl]-2,3,4,5,6,7,8,9, 11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl] acetate |
224447 |
[(5R,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclope nta[a]phenanthren-17-yl] acetate |
227113 |
[(3S,5S,8R,9S,10S,13R,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro -1H-cyclopenta[a]phenanthren-3-yl] acetate |
242132 |
[(5S,8R,9S,10S,13S,14S,17S)-13-methyl-3-oxo-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclope nta[a]phenanthren-17-yl] acetate |
internal high similarity DBLink | Rows returned: 10 | 1 2 Next >> |
active | Cluster 11774 | Additional Members: 14 | Rows returned: 5 | |
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