Compound Information | SONAR Target prediction | Name: | 2-Methylthioadenosine diphosphate trisodium | Unique Identifier: | LOPAC 01337 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | C11H14N5Na3O10P2S | Molecular Weight: | 525.128 g/mol | X log p: | -2.009 (online calculus) | Lipinksi Failures | 1 | TPSA | 216.25 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 15 | Rotatable Bond Count: | 7 | Canonical Smiles: | [Na+].[Na+].[Na+].[O-]P([O-])(=O)OP([O-])(=O)OCC1OC(C(O)C1O)n1cnc2c(N) nc(SC)nc12 | Class: | P2 Receptor | Action: | Agonist | Selectivity: | P2Y |
Species: |
4932 |
Condition: |
MRC1 |
Replicates: |
2 |
Raw OD Value: r im |
0.8369±0.00735391 |
Normalized OD Score: sc h |
1.0079±0.0144426 |
Z-Score: |
0.5307±1.00013 |
p-Value: |
0.53783 |
Z-Factor: |
-10.2095 |
Fitness Defect: |
0.6202 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Lopac | Plate Number and Position: | 11|B5 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 25.60 Celcius | Date: | 2005-12-06 YYYY-MM-DD | Plate CH Control (+): | 0.18389999999999998±0.19700 | Plate DMSO Control (-): | 0.807075±0.01215 | Plate Z-Factor: | 0.9413 |
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6604892 |
[[(2R,3R,4S,5S)-5-(6-amino-2-methylsulfanyl-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosph oryl]oxyphosphonic acid |
internal high similarity DBLink | Rows returned: 1 | |
active | Cluster 306 | Additional Members: 11 | Rows returned: 0 | |
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