| 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-pdr1pdr3-1st |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5473±0.0211425 |
| Normalized OD Score: sc h |
0.8670±0.0407748 |
| Z-Score: |
-6.2393±2.12166 |
| p-Value: |
0.00000107381 |
| Z-Factor: |
-0.477399 |
| Fitness Defect: |
13.7443 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 9|A6 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.30 Celcius | | Date: | 2008-01-25 YYYY-MM-DD | | Plate CH Control (+): | 0.039775000000000005±0.00032 | | Plate DMSO Control (-): | 0.612625±0.01361 | | Plate Z-Factor: | 0.9299 |
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ps
pdf |
| 634099 |
(10,13-dimethyl-12-oxo-17-pentan-2-yl-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenan
thren-3-yl) acetate |
| 634592 |
n/a |
| 634611 |
n/a |
| 634975 |
(10,13-dimethyl-17-octan-2-yl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenant
hren-3-yl) acetate |
| 635199 |
[17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclo
penta[a]phenanthren-3-yl] acetate |
| 637624 |
[(3S,5S,8R,9S,10S,13R,14S,17R)-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 |
| internal high similarity DBLink | Rows returned: 10 | 1 2 Next >> |
| active | Cluster 11774 | Additional Members: 14 | Rows returned: 5 | |
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