| Compound Information | SONAR Target prediction | | Name: | 2-Methylthioadenosine triphosphate tetrasodium | | Unique Identifier: | LOPAC 00015 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C11H14N5Na4O13P3S | | Molecular Weight: | 627.09 g/mol | | X log p: | -3.238 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 275.42 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 18 | | Rotatable Bond Count: | 9 | | Canonical Smiles: | [Na+].[Na+].[Na+].[Na+].[O-]P([O-])(=O)OP([O-])(=O)OP([O-])(=O)OCC1OC(
C(O)C1O)n1cnc2c(N)nc(SC)nc12 | | Class: | P2 Receptor | | Action: | Agonist | | Selectivity: | P2Y |
| Species: |
4932 |
| Condition: |
HOC1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.5606±0.00806102 |
| Normalized OD Score: sc h |
1.0142±0.0183769 |
| Z-Score: |
0.6157±0.788406 |
| p-Value: |
0.597126 |
| Z-Factor: |
-4.16125 |
| Fitness Defect: |
0.5156 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Lopac | | Plate Number and Position: | 2|H6 | | 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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| 1581 |
2-(6-amino-2-methylsulfanyl-purin-9-yl)-5-[[oxido-(oxido-phosphonatooxy-phosphoryl)oxy-phosphoryl]oxymet
hyl]oxolane-3,4-diol |
| 1582 |
[[[5-(6-amino-2-methylsulfanyl-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydr
oxy-phosphoryl]oxyphosphonic acid |
| 107986 |
[[[(2R,3R,4R)-5-(6-amino-2-methylsulfanyl-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphor
yl]oxy-hydroxy-phosphoryl]oxyphosphonic acid |
| 5310983 |
[[[(2R,3R,4R,5R)-5-(6-amino-2-methylsulfanyl-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosp
horyl]oxy-hydroxy-phosphoryl]oxyphosphonic acid |
| 6604052 |
tetrasodium
(2R,3R,4R,5S)-2-(6-amino-2-methylsulfanyl-purin-9-yl)-5-[[oxido-(oxido-phosphonatooxy-phosphoryl)oxy-pho
sphoryl]oxymethyl]oxolane-3,4-diol |
| 6604053 |
[[[(2S,3R,4R,5R)-5-(6-amino-2-methylsulfanyl-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosp
horyl]oxy-hydroxy-phosphoryl]oxyphosphonic acid |
| internal high similarity DBLink | Rows returned: 2 | |
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