| Compound Information | SONAR Target prediction | | Name: | 8-Bromo-cAMP sodium | | Unique Identifier: | LOPAC 00415 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | BrC10H10N5NaO6P | | Molecular Weight: | 420.005 g/mol | | X log p: | 0.39 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 117.95 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 11 | | Rotatable Bond Count: | 1 | | Canonical Smiles: | [Na+].[O-]P1(=O)OCC2OC(C(O)C2O1)n1c(Br)nc2c(N)ncnc12 | | Class: | Cyclic Nucleotides | | Action: | Activator |
| Species: |
4932 |
| Condition: |
ESC2 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5203±0.00339411 |
| Normalized OD Score: sc h |
1.0037±0.0114829 |
| Z-Score: |
0.1252±0.364373 |
| p-Value: |
0.79823 |
| Z-Factor: |
-6.33147 |
| Fitness Defect: |
0.2254 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Lopac | | Plate Number and Position: | 3|C5 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 28.20 Celcius | | Date: | 2005-11-25 YYYY-MM-DD | | Plate CH Control (+): | 0.03905±0.00228 | | Plate DMSO Control (-): | 0.53555±0.03017 | | Plate Z-Factor: | 0.7853 |
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| 1912 |
8-(6-amino-8-bromo-purin-9-yl)-3-oxido-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-9-ol |
| 1913 |
8-(6-amino-8-bromo-purin-9-yl)-3-hydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-9-ol |
| 32014 |
(1R,6R,8R,9R)-8-(6-amino-8-bromo-purin-9-yl)-3-hydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]n
onan-9-ol |
| 6604062 |
sodium
(1S,6S,8R,9R)-8-(6-amino-8-bromo-purin-9-yl)-3-oxido-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]non
an-9-ol |
| 6604063 |
(1S,6S,8R,9R)-8-(6-amino-8-bromo-purin-9-yl)-3-hydroxy-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]n
onan-9-ol |
| 6604825 |
(1R,6S,8S,9S)-8-(6-amino-8-bromo-purin-9-yl)-3-oxido-3-oxo-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]non
an-9-ol |
| internal high similarity DBLink | Rows returned: 1 | |
| active | Cluster 1044 | Additional Members: 3 | Rows returned: 0 | |
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