Compound Information | SONAR Target prediction | Name: | ARL 67156 trisodium salt | Unique Identifier: | LOPAC 00702 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | Br2C15H21N5Na3O12P3 | Molecular Weight: | 763.886 g/mol | X log p: | 1.681 (online calculus) | Lipinksi Failures | 2 | TPSA | 221.07 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 17 | Rotatable Bond Count: | 11 | Canonical Smiles: | [Na+].[Na+].[Na+].[O-]P(O)(=O)C(Br)(Br)P([O-])(=O)OP([O-])(=O)OCC1OC(C (O)C1O)n1cnc2c(ncnc12)N(CC)CC | Class: | P2 Receptor | Action: | Inhibitor | Selectivity: | ecto-ATPase |
Species: |
4932 |
Condition: |
HOC1 |
Replicates: |
2 |
Raw OD Value: r im |
0.5448±0.000141421 |
Normalized OD Score: sc h |
0.9972±0.012494 |
Z-Score: |
-0.1556±0.587468 |
p-Value: |
0.681506 |
Z-Factor: |
-14.4525 |
Fitness Defect: |
0.3835 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Lopac | Plate Number and Position: | 2|G10 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 26.50 Celcius | Date: | 2005-11-24 YYYY-MM-DD | Plate CH Control (+): | 0.0387±0.00118 | Plate DMSO Control (-): | 0.55865±0.01265 | Plate Z-Factor: | 0.8920 |
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DBLink | Rows returned: 5 | |
4033774 |
[dibromo-[[[5-(6-diethylaminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydrox y-phosphoryl]methyl]phosphonic acid |
6398523 |
[dibromo-[[[(2R,3R,4R,5R)-5-(6-diethylaminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phospho ryl]oxy-hydroxy-phosphoryl]methyl]-hydroxy-oxo-phosphanium |
6604054 |
trisodium (2S,3S,4S,5R)-2-[[[[dibromo-(hydroxy-oxido-phosphoryl)methyl]-oxido-phosphoryl]oxy-oxido-phosphoryl]oxym ethyl]-5-(6-diethylaminopurin-9-yl)oxolane-3,4-diol |
6604055 |
[dibromo-[[[(2S,3S,4S,5R)-5-(6-diethylaminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phospho ryl]oxy-hydroxy-phosphoryl]methyl]phosphonic acid |
6604847 |
[dibromo-[[[(2S,3S,4R,5R)-5-(6-diethylaminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phospho ryl]oxy-hydroxy-phosphoryl]methyl]phosphonic acid |
internal high similarity DBLink | Rows returned: 0 | |
active | Cluster 306 | Additional Members: 11 | Rows returned: 0 | |
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