Compound Information | SONAR Target prediction | Name: | BUCLADESINE | Unique Identifier: | SPE01503043 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | | Molecular Weight: | 445.195 g/mol | X log p: | 2.342 (online calculus) | Lipinksi Failures | 1 | TPSA | 138.26 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 13 | Rotatable Bond Count: | 9 | Canonical Smiles: | CCCC(=O)Nc1ncnc2n(cnc12)C1OC2COP(O)(=O)OC2C1OC(=O)CCC | Source: | synthetic | Therapeutics: | vasodilator |
Species: |
4932 |
Condition: |
TOR1 |
Replicates: |
2 |
Raw OD Value: r im |
1.0009±0.0137179 |
Normalized OD Score: sc h |
0.9695±0.0179015 |
Z-Score: |
0.4041±0.507528 |
p-Value: |
0.704686 |
Z-Factor: |
-3.2547 |
Fitness Defect: |
0.35 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum_ED | Plate Number and Position: | 24|F9 | Drug Concentration: | 50.00 nM | OD Absorbance: | 595 nm | Robot Temperature: | 30.00 Celcius | Date: | 2012-09-18 YYYY-MM-DD | Plate CH Control (+): | -0.00115±0.00163 | Plate DMSO Control (-): | 0.9995±0.02603 | Plate Z-Factor: | 0.9157 |
| png ps pdf |
6419873 |
sodium [(1S,6R,8R)-8-[6-(butanoylamino)purin-9-yl]-3-oxido-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]non- 9-yl] butanoate hydrate |
6602474 |
[(1S,6R,8R)-8-[6-(butanoylamino)purin-9-yl]-3-hydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]no n-9-yl] butanoate |
6604528 |
sodium [(1S,6S,8R,9S)-8-[6-(butanoylamino)purin-9-yl]-3-oxido-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]n on-9-yl] butanoate hydrate |
6604529 |
[(1S,6S,8R,9S)-8-[6-(butanoylamino)purin-9-yl]-3-hydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0 ]non-9-yl] butanoate |
6604694 |
[(1R,6R,8R,9R)-8-[6-(butanoylamino)purin-9-yl]-3-oxido-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]n on-9-yl] butanoate |
6610336 |
[(1S,6S,9S)-8-[6-(butanoylamino)purin-9-yl]-3-hydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]no n-9-yl] butanoate |
internal high similarity DBLink | Rows returned: 0 | |
active | Cluster 11040 | Additional Members: 3 | Rows returned: 0 | |
|