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: |
BY4743 |
Replicates: |
2 |
Raw OD Value: r im |
0.7790±0.16518 |
Normalized OD Score: sc h |
0.9922±0.0129043 |
Z-Score: |
-0.2058±0.344063 |
p-Value: |
0.81173 |
Z-Factor: |
-16.0709 |
Fitness Defect: |
0.2086 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Lopac | Plate Number and Position: | 10|D10 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 0.00 Celcius | Date: | 2005-08-19 YYYY-MM-DD | Plate CH Control (+): | 0.05020000000000001±0.00232 | Plate DMSO Control (-): | 0.80245±0.03140 | Plate Z-Factor: | 0.8935 |
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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 | |
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