| 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: |
AAT2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7010±0.0277893 |
| Normalized OD Score: sc h |
0.9623±0.0235376 |
| Z-Score: |
-1.9867±1.20604 |
| p-Value: |
0.130672 |
| Z-Factor: |
-2.41108 |
| Fitness Defect: |
2.0351 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 9|A6 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 24.10 Celcius | | Date: | 2008-04-08 YYYY-MM-DD | | Plate CH Control (+): | 0.0403±0.00082 | | Plate DMSO Control (-): | 0.7129749999999999±0.01080 | | Plate Z-Factor: | 0.9359 |
|  png
ps
pdf |
| 4073988 |
n/a |
| 4105114 |
n/a |
| 4114186 |
methyl
4-(3-acetyloxy-12-hydroxy-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 |
| 4184296 |
[17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclo
penta[a]phenanthren-11-yl] acetate |
| 4247391 |
[17-(methoxycarbonylmethyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopent
a[a]phenanthren-3-yl] acetate |
| 4316021 |
2-(17-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanth
ren-3-yl)acetic acid |
| internal high similarity DBLink | Rows returned: 10 | 1 2 Next >> |
| active | Cluster 11774 | Additional Members: 14 | Rows returned: 5 | |
|
