| 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: |
PFK2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.4039±0.0129401 |
| Normalized OD Score: sc h |
0.8671±0.0101898 |
| Z-Score: |
-4.2661±0.282329 |
| p-Value: |
0.0000278494 |
| Z-Factor: |
-0.302176 |
| Fitness Defect: |
10.4887 |
| Bioactivity Statement: |
Active |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 9|A6 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.00 Celcius | | Date: | 2008-05-10 YYYY-MM-DD | | Plate CH Control (+): | 0.040475±0.00057 | | Plate DMSO Control (-): | 0.47154999999999997±0.02136 | | Plate Z-Factor: | 0.8302 |
|  png
ps
pdf |
| 3268727 |
(5,10,13-trimethyl-17-oxo-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl)
acetate |
| 3325176 |
11-oxononacosyl acetate |
| 3346705 |
n/a |
| 3386963 |
methyl
4-(3,11-diacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phen
anthren-17-yl)pentanoate |
| 3499265 |
(10,13,16-trimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl)
acetate |
| 3513995 |
(4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)
acetate |
| internal high similarity DBLink | Rows returned: 10 | 1 2 Next >> |
| active | Cluster 11774 | Additional Members: 14 | Rows returned: 5 | |
|
