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Compound InformationSONAR Target prediction
Name:

ARL 67156 trisodium salt

Unique Identifier:LOPAC 00702
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:Br2C15H21N5Na3O12P3
Molecular Weight:763.886 g/mol
X log p:1.681  (online calculus)
Lipinksi Failures2
TPSA221.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:17
Rotatable Bond Count:11
Canonical Smiles:[Na+].[Na+].[Na+].[O-]P(O)(=O)C(Br)(Br)P([O-])(=O)OP([O-])(=O)OCC1OC(C
(O)C1O)n1cnc2c(ncnc12)N(CC)CC
Class:P2 Receptor
Action:Inhibitor
Selectivity:ecto-ATPase

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 0.7825±0.0937901
Normalized OD Score: sc h 0.9802±0.0142746
Z-Score: -0.7133±0.496289
p-Value: 0.482178
Z-Factor: -17.8399
Fitness Defect: 0.7294
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:2|G10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.60 Celcius
Date:2005-04-07 YYYY-MM-DD
Plate CH Control (+):0.046749999999999986±0.00334
Plate DMSO Control (-):0.7916312500000005±0.04022
Plate Z-Factor:0.8778
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DBLink | Rows returned: 5
4033774 [dibromo-[[[5-(6-diethylaminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydrox
y-phosphoryl]methyl]phosphonic acid
6398523 [dibromo-[[[(2R,3R,4R,5R)-5-(6-diethylaminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phospho
ryl]oxy-hydroxy-phosphoryl]methyl]-hydroxy-oxo-phosphanium
6604054 trisodium
(2S,3S,4S,5R)-2-[[[[dibromo-(hydroxy-oxido-phosphoryl)methyl]-oxido-phosphoryl]oxy-oxido-phosphoryl]oxym
ethyl]-5-(6-diethylaminopurin-9-yl)oxolane-3,4-diol
6604055 [dibromo-[[[(2S,3S,4S,5R)-5-(6-diethylaminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phospho
ryl]oxy-hydroxy-phosphoryl]methyl]phosphonic acid
6604847 [dibromo-[[[(2S,3S,4R,5R)-5-(6-diethylaminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phospho
ryl]oxy-hydroxy-phosphoryl]methyl]phosphonic acid

internal high similarity DBLink | Rows returned: 0

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