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Compound InformationSONAR Target prediction
Name:

2-Methylthioadenosine diphosphate trisodium

Unique Identifier:LOPAC 01337
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C11H14N5Na3O10P2S
Molecular Weight:525.128 g/mol
X log p:-2.009  (online calculus)
Lipinksi Failures1
TPSA216.25
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:15
Rotatable Bond Count:7
Canonical Smiles:[Na+].[Na+].[Na+].[O-]P([O-])(=O)OP([O-])(=O)OCC1OC(C(O)C1O)n1cnc2c(N)
nc(SC)nc12
Class:P2 Receptor
Action:Agonist
Selectivity:P2Y

Found: 24 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [24]
Species: 4932
Condition: HOC1
Replicates: 2
Raw OD Value: r im 0.5714±0.0103238
Normalized OD Score: sc h 1.0268±0.00585059
Z-Score: 1.2248±0.158816
p-Value: 0.223552
Z-Factor: -1.2233
Fitness Defect: 1.4981
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:11|B5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.60 Celcius
Date:2005-11-24 YYYY-MM-DD
Plate CH Control (+):0.038474999999999995±0.00112
Plate DMSO Control (-):0.54615±0.00790
Plate Z-Factor:0.9484
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DBLink | Rows returned: 72 Next >> 
1579 2-(6-amino-2-methylsulfanyl-purin-9-yl)-5-[(oxido-phosphonatooxy-phosphoryl)oxymethyl]oxolane-3,4-diol
1580 [[5-(6-amino-2-methylsulfanyl-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxyphosph
onic acid
121990 [[(2R,3R,4R,5R)-5-(6-amino-2-methylsulfanyl-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosph
oryl]oxyphosphonic acid
6604128 trisodium
(2R,3R,4R,5S)-2-(6-amino-2-methylsulfanyl-purin-9-yl)-5-[(oxido-phosphonatooxy-phosphoryl)oxymethyl]oxol
ane-3,4-diol
6604129 [[(2S,3R,4R,5R)-5-(6-amino-2-methylsulfanyl-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosph
oryl]oxyphosphonic acid
6604891 (2S,3S,4R,5R)-2-(6-amino-2-methylsulfanyl-purin-9-yl)-5-[(oxido-phosphonatooxy-phosphoryl)oxymethyl]oxol
ane-3,4-diol

internal high similarity DBLink | Rows returned: 1
LOPAC 00015 0.9633

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

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