| 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: |
PRE9 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5570±0.0258094 |
| Normalized OD Score: sc h |
0.8760±0.0169269 |
| Z-Score: |
-4.7191±0.702779 |
| p-Value: |
0.0000121911 |
| Z-Factor: |
-1.35422 |
| Fitness Defect: |
11.3148 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 9|A8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.70 Celcius | | Date: | 2007-10-04 YYYY-MM-DD | | Plate CH Control (+): | 0.0398±0.00036 | | Plate DMSO Control (-): | 0.6257999999999999±0.04223 | | Plate Z-Factor: | 0.7754 |
|  png
ps
pdf |
| 4435347 |
[17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclo
penta[a]phenanthren-3-yl] acetate |
| 4456041 |
2-(3-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthr
en-17-yl)acetic acid |
| 4530978 |
methyl
4-(3-acetyloxy-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenant
hren-17-yl)pentanoate |
| 4548252 |
4-(3-acetyloxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenant
hren-17-yl)pentanoic acid |
| 4664773 |
(17-acetyl-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren
-3-yl) acetate |
| 4668448 |
(4,4,10,13,14-pentamethyl-17-oxo-1,2,3,5,6,7,8,9,11,12,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl)
acetate |
| internal high similarity DBLink | Rows returned: 10 | 1 2 Next >> |
| active | Cluster 11774 | Additional Members: 14 | Rows returned: 5 | |
|
