| 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: |
MMS22 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.4622±0.02885 |
| Normalized OD Score: sc h |
0.8685±0.0250602 |
| Z-Score: |
-4.2861±0.56662 |
| p-Value: |
0.0000524654 |
| Z-Factor: |
0.0218211 |
| Fitness Defect: |
9.8554 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 9|A6 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.90 Celcius | | Date: | 2008-06-13 YYYY-MM-DD | | Plate CH Control (+): | 0.040775±0.00514 | | Plate DMSO Control (-): | 0.52325±0.00885 | | Plate Z-Factor: | 0.9348 |
|  png
ps
pdf |
| 579868 |
n/a |
| 601507 |
(4,4,6a,6b,8a,11,11,14b-octamethyl-13-oxo-2,3,4a,5,6,6a,7,8,9,10,12,12a,14,14a-tetradecahydro-1H-picen-3
-yl) acetate |
| 605257 |
(3,3,6a,6b,9,9,12a,14b-octamethyl-10-oxo-2,4,4a,5,6,6a,7,8,8a,11,12,13,14,14a-tetradecahydro-1H-picen-4-
yl) acetate |
| 612483 |
n/a |
| 615931 |
methyl
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)pentanoate |
| 615945 |
(4a,7-dimethyl-8-oxo-1,2,3,4,4b,5,6,7,8a,9,10,10a-dodecahydrophenanthren-2-yl) acetate |
| internal high similarity DBLink | Rows returned: 10 | 1 2 Next >> |
| active | Cluster 11774 | Additional Members: 14 | Rows returned: 5 | |
|
