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: |
NOP13 |
Replicates: |
2 |
Raw OD Value: r im |
0.7149±0.0150614 |
Normalized OD Score: sc h |
0.9974±0.0074407 |
Z-Score: |
-0.0969±0.333603 |
p-Value: |
0.814372 |
Z-Factor: |
-36.3214 |
Fitness Defect: |
0.2053 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Lopac | Plate Number and Position: | 5|H6 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 0.00 Celcius | Date: | 2005-04-22 YYYY-MM-DD | Plate CH Control (+): | 0.047799999999999995±0.00077 | Plate DMSO Control (-): | 0.674075±0.03276 | Plate Z-Factor: | 0.8476 |
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59709 |
[[(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; azane |
123694 |
[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy- phosphoryl]oxy-[[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phospho ryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-phosphinic acid |
193491 |
[[[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydrox y-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid |
440210 |
bis[[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydr oxy-phosphoryl]oxy]phosphinic acid |
444295 |
dioxidanium; actinium; [[[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydrox y-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid; azanide; hydrate |
444297 |
actinium; [[[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydrox y-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]-(hydroxy-oxonio-phosphoryl)oxidanium; azanide; trihydrate |
internal high similarity DBLink | Rows returned: 2 | |
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