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: |
GAS1 |
Replicates: |
2 |
Raw OD Value: r im |
0.5470±0.207677 |
Normalized OD Score: sc h |
0.7967±0.298715 |
Z-Score: |
-9.7526±14.3318 |
p-Value: |
0.35139 |
Z-Factor: |
-4.52095 |
Fitness Defect: |
1.0459 |
Bioactivity Statement: |
Outlier |
Experimental Conditions | | Library: | Lopac | Plate Number and Position: | 2|H6 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 27.40 Celcius | Date: | 2005-11-17 YYYY-MM-DD | Plate CH Control (+): | 0.0403±0.00211 | Plate DMSO Control (-): | 0.6949750000000001±0.04216 | Plate Z-Factor: | 0.6832 |
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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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