| 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: |
SAM2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5753±0.0688722 |
| Normalized OD Score: sc h |
0.8828±0.0768389 |
| Z-Score: |
-5.9728±3.99313 |
| p-Value: |
0.000818638 |
| Z-Factor: |
-3.76469 |
| Fitness Defect: |
7.1079 |
| Bioactivity Statement: |
Outlier |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 9|A8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.30 Celcius | | Date: | 2007-09-21 YYYY-MM-DD | | Plate CH Control (+): | 0.03985±0.00032 | | Plate DMSO Control (-): | 0.643275±0.04847 | | Plate Z-Factor: | 0.7235 |
|  png
ps
pdf |
| 637630 |
methyl
(4S)-4-[(3S,5S,8R,9S,10S,12S,13R,14S,17S)-3,12-diacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16
,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate |
| 637635 |
methyl
(4S)-4-[(3S,5S,8R,9S,10S,13R,14S,17S)-3-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetra
decahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate |
| 641652 |
(3S)-5-[(1R,2R,4aS,8aR)-2-acetyloxy-2,5,5,8a-tetramethyl-decalin-1-yl]-3-methyl-pentanoic acid |
| 682645 |
[(3S,5R,8R,9R,10S,13R,14S)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopen
ta[a]phenanthren-3-yl] acetate |
| 907788 |
[(3S,5S,8R,9R,10S,13S,14R)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopen
ta[a]phenanthren-3-yl] acetate |
| 908740 |
[(3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopen
ta[a]phenanthren-3-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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