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Compound InformationSONAR 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 Failures2
TPSA321.95
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

Found: 24 nonactive as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [24]
Species: 4932
Condition: BY4741
Replicates: 8
Raw OD Value: r im 0.7827±0.0636709
Normalized OD Score: sc h 0.9562±0.0397823
Z-Score: -1.5943±1.29172
p-Value: 0.110876
Z-Factor: -7.53239
Fitness Defect: 2.1993
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:5|H6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.60 Celcius
Date:2005-04-07 YYYY-MM-DD
Plate CH Control (+):0.04706875±0.00209
Plate DMSO Control (-):0.7644374999999999±0.04321
Plate Z-Factor:0.8209
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DBLink | Rows returned: 181 2 3 Next >> 
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
LOPAC 00015 0.9041
LOPAC 00029 0.9296

active | Cluster 306 | Additional Members: 11 | Rows returned: 0
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