| Compound Information | SONAR Target prediction |
| Name: | MRS 2179 |
| Unique Identifier: | LOPAC 01046 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | C11H23N7O9P2 |
| Molecular Weight: | 436.107 g/mol |
| X log p: | 0.47 (online calculus) |
| Lipinksi Failures | 1 |
| TPSA | 167.89 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 14 |
| Rotatable Bond Count: | 7 |
| Canonical Smiles: | [NH4+].[NH4+].[O-]P(O)(=O)OCC1OC(CC1OP([O-])(O)=O)n1cnc2c(NC)ncnc12 |
| Class: | P2 Receptor |
| Action: | Antagonist |
| Selectivity: | P2Y1 |
| Found: 24 nonactive as graph: single | with analogs | [1] << Back 1 2 3 4 5 6 7 8 9 10 Next >> [24] |
| Species: | 4932 |
| Condition: | KRE1 |
| Replicates: | 2 |
| Raw OD Value: r im | 0.6391±0.00799031 |
| Normalized OD Score: sc h | 1.0127±0.00317099 |
| Z-Score: | 0.5466±0.154987 |
| p-Value: | 0.58687 |
| Z-Factor: | -3.74149 |
| Fitness Defect: | 0.533 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 8 | 1 2 Next >> |
| 3985498 | [5-(6-methylaminopurin-9-yl)-3-phosphonooxy-oxolan-2-yl]methoxyphosphonic acid |
| 4526919 | 9-[4-(hydroxy-oxido-phosphoryl)oxy-5-[(hydroxy-oxido-phosphoryl)oxymethyl]oxolan-2-yl]-N-methyl-purin-6- amine |
| 5311302 | diazanium 9-[(2R,4S,5R)-4-(hydroxy-oxido-phosphoryl)oxy-5-[(hydroxy-oxido-phosphoryl)oxymethyl]oxolan-2-yl]-N-meth yl-purin-6-amine |
| 5311303 | [(2R,3S,5R)-5-(6-methylaminopurin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl]oxyphosphonic acid |
| 6324642 | [(2S,3R,5R)-5-(6-methylaminopurin-9-yl)-3-phosphonooxy-oxolan-2-yl]methoxyphosphonic acid |
| 6603925 | 9-[(2R,4R,5S)-4-(hydroxy-oxido-phosphoryl)oxy-5-[(hydroxy-oxido-phosphoryl)oxymethyl]oxolan-2-yl]-N-meth yl-purin-6-amine |
| internal high similarity DBLink | Rows returned: 0 |
| active | Cluster 16028 | Additional Members: 4 | Rows returned: 0 |
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