| Compound Information | SONAR Target prediction | | Name: | 2-Chloroadenosine triphosphate tetrasodium | | Unique Identifier: | LOPAC 00029 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C10ClH11N5Na4O13P3 | | Molecular Weight: | 618.466 g/mol | | X log p: | -2.83 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 250.12 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 18 | | Rotatable Bond Count: | 8 | | Canonical Smiles: | [Na+].[Na+].[Na+].[Na+].[O-]P([O-])(=O)OP([O-])(=O)OP([O-])(=O)OCC1OC(
C(O)C1O)n1cnc2c(N)nc(Cl)nc12 | | Class: | P2 Receptor | | Action: | Agonist | | Selectivity: | P2Y |
| Species: |
4932 |
| Condition: |
BY4741 |
| Replicates: |
8 |
| Raw OD Value: r im |
0.8576±0.0886744 |
| Normalized OD Score: sc h |
1.0087±0.0177375 |
| Z-Score: |
0.3541±0.487972 |
| p-Value: |
0.723356 |
| Z-Factor: |
-8.39821 |
| Fitness Defect: |
0.3239 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Lopac | | Plate Number and Position: | 5|D4 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 27.60 Celcius | | Date: | 2005-04-07 YYYY-MM-DD | | Plate CH Control (+): | 0.04706875±0.00209 | | Plate DMSO Control (-): | 0.7644374999999999±0.04321 | | Plate Z-Factor: | 0.8209 |
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| DBLink | Rows returned: 5 | |
| 1548 |
2-(6-amino-2-chloro-purin-9-yl)-5-[[oxido-(oxido-phosphonatooxy-phosphoryl)oxy-phosphoryl]oxymethyl]oxol
ane-3,4-diol |
| 1549 |
[[[5-(6-amino-2-chloro-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phos
phoryl]oxyphosphonic acid |
| 162565 |
[[[(2R,3R,4R,5R)-5-(6-amino-2-chloro-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]ox
y-hydroxy-phosphoryl]oxyphosphonic acid |
| 6604064 |
tetrasodium
(2R,3R,4R,5S)-2-(6-amino-2-chloro-purin-9-yl)-5-[[oxido-(oxido-phosphonatooxy-phosphoryl)oxy-phosphoryl]
oxymethyl]oxolane-3,4-diol |
| 6604065 |
[[[(2S,3R,4R,5R)-5-(6-amino-2-chloro-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]ox
y-hydroxy-phosphoryl]oxyphosphonic acid |
| internal high similarity DBLink | Rows returned: 1 | |
| active | Cluster 306 | Additional Members: 11 | Rows returned: 0 | |
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