Compound Information | SONAR Target prediction | Name: | P1,P4-Di(adenosine-5`)tetraphosphate triammonium | Unique Identifier: | LOPAC 00041 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | C20H37N13O19P4 | Molecular Weight: | 862.281 g/mol | X log p: | 0.690000000000001 (online calculus) | Lipinksi Failures | 2 | TPSA | 321.95 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 29 | Rotatable Bond Count: | 14 | Canonical Smiles: | [NH4+].[NH4+].[NH4+].[O-]P(=O)(OCC1OC(C(O)C1O)n1cnc2c(N)ncnc12)OP([O-] )(=O)OP([O-])(=O)OP(O)(=O)OCC1OC(C(O)C1O)n1cnc2c(N)ncnc12 | Class: | Biochemistry | Action: | Inhibitor | Generic_name: | BIS(ADENOSINE)-5--PENTAPHOSPHATE | Chemical_iupac_name: | BIS(ADENOSINE)-5--PENTAPHOSPHATE | Drug_type: | Experimental | Drugbank_id: | EXPT00535 | Drug_category: | Adenylate Kinase inhibitor | Organisms_affected: | -1 |
Species: |
4932 |
Condition: |
MRC1 |
Replicates: |
2 |
Raw OD Value: r im |
0.8516±0.0164049 |
Normalized OD Score: sc h |
0.9921±0.00561337 |
Z-Score: |
-0.5998±0.465039 |
p-Value: |
0.569764 |
Z-Factor: |
-4.27193 |
Fitness Defect: |
0.5625 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Lopac | Plate Number and Position: | 5|H6 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 24.90 Celcius | Date: | 2005-12-06 YYYY-MM-DD | Plate CH Control (+): | 0.3314±0.21684 | Plate DMSO Control (-): | 0.813625±0.01988 | Plate Z-Factor: | 0.4359 |
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194 |
[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-[[[5-(6-aminopurin-9-yl )-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-phosphinic acid |
508 |
[[[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]ox y-hydroxy-phosphoryl]oxyphosphonic acid |
2388 |
bis[[[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl ]oxy]phosphinic acid |
4662 |
[5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-[[[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan- 2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl]oxy-oxido-phosphoryl]oxy-phosphinic acid |
14003 |
[[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy -phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid |
21706 |
[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-[[[(2R,3R ,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphory l]oxy-phosphinic acid |
internal high similarity DBLink | Rows returned: 2 | |
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