| 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: |
HOC1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5532±0.00997021 |
| Normalized OD Score: sc h |
1.0024±0.00507855 |
| Z-Score: |
0.1203±0.243903 |
| p-Value: |
0.864048 |
| Z-Factor: |
-8.68716 |
| Fitness Defect: |
0.1461 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Lopac | | Plate Number and Position: | 3|C5 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.50 Celcius | | Date: | 2005-11-24 YYYY-MM-DD | | Plate CH Control (+): | 0.039125±0.00106 | | Plate DMSO Control (-): | 0.54965±0.01065 | | Plate Z-Factor: | 0.9209 |
|  png
ps
pdf |
| 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 | |
| nonactive | Cluster 1044 | Additional Members: 3 | Rows returned: 2 | |
|
