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Compound InformationSONAR Target prediction
Name:

NADPH tetrasodium

Unique Identifier:LOPAC 00455
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C21H26N7Na4O17P3
Molecular Weight:807.142 g/mol
X log p:5.025  (online calculus)
Lipinksi Failures3
TPSA288.89
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:24
Rotatable Bond Count:13
Canonical Smiles:[Na+].[Na+].[Na+].[Na+].[O-]P([O-])(=O)OC1C(O)C(COP([O-])(=O)OP([O-])(
=O)OCC2OC(C(O)C2O)N2C=CCC(=C2)C(N)=O)OC1n1cnc2c(N)ncnc12
Class:Nitric Oxide
Action:Cofactor
Generic_name:NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUC
Chemical_iupac_name:NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDEPHOSPHATE
Drug_type:Experimental
Drugbank_id:EXPT02321
Drug_category:Pteridine Reductase 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 0.7555±0.064974
Normalized OD Score: sc h 1.0117±0.0176958
Z-Score: 0.3807±0.721515
p-Value: 0.564306
Z-Factor: -6.82822
Fitness Defect: 0.5722
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:11|H9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.80 Celcius
Date:2005-04-07 YYYY-MM-DD
Plate CH Control (+):0.04756875±0.00100
Plate DMSO Control (-):0.7615562500000002±0.04256
Plate Z-Factor:0.8396
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DBLink | Rows returned: 71 2 Next >> 
930 [2-(6-aminopurin-9-yl)-5-[[[[5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-p
hosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic acid
5884 [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[[[[(2R,3R,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxy-o
xolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphospho
nic acid
2733511 tetrasodium
1-[(2R,3R,4R,5R)-5-[[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonatooxy-oxolan-2-yl]methox
y-oxido-phosphoryl]oxy-oxido-phosphoryl]oxymethyl]-3,4-dihydroxy-oxolan-2-yl]-4H-pyridine-3-carboxamide
tetrahydrate
3654102 1-[5-[[[[5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonatooxy-oxolan-2-yl]methoxy-oxido-phosphoryl]oxy-oxido
-phosphoryl]oxymethyl]-3,4-dihydroxy-oxolan-2-yl]-4H-pyridine-3-carboxamide
6604143 tetrasodium
1-[(2R,3S,4S,5S)-5-[[[[(2S,3R,4S,5S)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonatooxy-oxolan-2-yl]methox
y-oxido-phosphoryl]oxy-oxido-phosphoryl]oxymethyl]-3,4-dihydroxy-oxolan-2-yl]-4H-pyridine-3-carboxamide
6604144 [(2S,3S,4R,5S)-2-(6-aminopurin-9-yl)-5-[[[[(2S,3S,4S,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxy-o
xolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphospho
nic acid

internal high similarity DBLink | Rows returned: 0

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