| 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: |
PEX11 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6042±0.0506288 |
| Normalized OD Score: sc h |
0.8649±0.0694118 |
| Z-Score: |
-7.7271±3.38366 |
| p-Value: |
0.000000047896 |
| Z-Factor: |
-1.43375 |
| Fitness Defect: |
16.8542 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 9|A8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.50 Celcius | | Date: | 2007-10-23 YYYY-MM-DD | | Plate CH Control (+): | 0.039175±0.00079 | | Plate DMSO Control (-): | 0.683675±0.02486 | | Plate Z-Factor: | 0.8697 |
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ps
pdf |
| 2748236 |
[(7R)-7,10,13-trimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-1
7-yl] acetate |
| 2752319 |
methyl
(1S,2R,6aR,6aS,6bR,8aS,12aS)-10-acetyloxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,
14,14a,14b-hexadecahydro-1H-picene-4a-carboxylate |
| 2752320 |
(1S,2R,6aR,6aS,6bR,8aS,12aS)-10-acetyloxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,
14,14a,14b-hexadecahydro-1H-picene-4a-carboxylic acid |
| 2754109 |
2-[(5S,10S,13S,17S)-17-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cycl
openta[a]phenanthren-3-yl]acetic acid |
| 2754129 |
[(3R,5S,10S,13S)-3-ethyl-10,13-dimethyl-17-oxo-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]
phenanthren-3-yl] acetate |
| 2754153 |
[(3S,5S,10S,13S)-3-ethyl-10,13-dimethyl-17-oxo-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[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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