| Compound Information | SONAR Target prediction | | Name: | alpha,beta-Methylene adenosine 5`-triphosphate dilithium | | Unique Identifier: | LOPAC 00052 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C11H16Li2N5O12P3 | | Molecular Weight: | 500.947 g/mol | | X log p: | -1.477 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 194.77 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 17 | | Rotatable Bond Count: | 8 | | Canonical Smiles: | [Li+].[Li+].[O-]P([O-])(=O)OP(O)(=O)CP(O)(=O)OCC1OC(C(O)C1O)n1cnc2c(N)
ncnc12 | | Class: | P2 Receptor | | Action: | Agonist | | Selectivity: | P2X > P2Y | | Generic_name: | ALPHA,BETA-METHYLENEADENOSINE-5--TRIPHOS | | Chemical_iupac_name: | DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER | | Drug_type: | Experimental | | Drugbank_id: | EXPT00539 | | Drug_category: | 6-Hydroxymethyl-7,8-Dihydropterin Pyrophosph inhibitor | | Organisms_affected: | -1 |
| Species: |
4932 |
| Condition: |
NUM1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.7235±0.00890955 |
| Normalized OD Score: sc h |
0.9835±0.00273544 |
| Z-Score: |
-1.0195±0.26495 |
| p-Value: |
0.316392 |
| Z-Factor: |
-2.59369 |
| Fitness Defect: |
1.1508 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Lopac | | Plate Number and Position: | 10|D10 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 26.90 Celcius | | Date: | 2005-11-30 YYYY-MM-DD | | Plate CH Control (+): | 0.038900000000000004±0.00089 | | Plate DMSO Control (-): | 0.7255±0.01549 | | Plate Z-Factor: | 0.9380 |
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| DBLink | Rows returned: 4 | |
| 3104 |
[[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]methyl-hydroxy-phosphoryl]
oxyphosphonic acid |
| 91557 |
[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]methyl-hydro
xy-phosphoryl]oxyphosphonic acid |
| 6604133 |
dilithium
[[(2S,3S,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]methyl-phosph
onatooxy-phosphinic acid |
| 6604134 |
[[[(2S,3S,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]methyl-hydro
xy-phosphoryl]oxyphosphonic acid |
| internal high similarity DBLink | Rows returned: 0 | |
| active | Cluster 9750 | Additional Members: 25 | Rows returned: 4 | |
|
