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Compound InformationSONAR Target prediction
Name:

SODIUM beta-NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE

Unique Identifier:SPE01503902
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C21H27N7NaO17P3
Molecular Weight:738.173 g/mol
X log p:6.741  (online calculus)
Lipinksi Failures3
TPSA242.54
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:23
Rotatable Bond Count:13
Canonical Smiles:[Na+].[O-]P(O)(=O)OC1C(O)C(COP(O)(=O)OP([O-])(=O)OCC2OC(C(O)C2O)[n+]2c
ccc(c2)C(N)=O)OC1n1cnc2c(N)ncnc12
Therapeutics:cofactor in aryl & steroidal hydroxylation
Generic_name:2--MONOPHOSPHOADENOSINE 5--DIPHOSPHORIBO
Chemical_iupac_name:NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Drug_type:Experimental
Drugbank_id:EXPT02293
Drug_category:Aldose Reductase inhibitor
Organisms_affected:-1

Found: 101 nonactive as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [101]
Species: 4932
Condition: APC9
Replicates: 2
Raw OD Value: r im 0.6881±0.00155563
Normalized OD Score: sc h 0.9902±0.00255836
Z-Score: -0.5316±0.13097
p-Value: 0.596546
Z-Factor: -8.73262
Fitness Defect: 0.5166
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:17|F2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.50 Celcius
Date:2007-11-22 YYYY-MM-DD
Plate CH Control (+):0.045274999999999996±0.00411
Plate DMSO Control (-):0.688325±0.01659
Plate Z-Factor:0.8931
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DBLink | Rows returned: 251 2 3 4 5 Next >> 
929 [2-(6-aminopurin-9-yl)-5-[[[[5-(5-carbamoylpyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosp
horyl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic acid
2362 [5-(6-aminopurin-9-yl)-3-hydroxy-4-(hydroxy-oxido-phosphoryl)oxy-oxolan-2-yl]methoxy-[[5-(5-carbamoylpyr
idin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-oxido-phosphoryl]oxy-phosphinic acid
4412 [2-(6-aminopurin-9-yl)-5-[[[[5-(5-carbamoylpyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-oxido-phospho
ryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic acid
5885 [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[[[[(2R,3R,4R,5R)-5-(5-carbamoylpyridin-1-yl)-3,4-dihydroxy-oxola
n-2-yl]methoxy-oxido-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic
acid
5886 [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[[[[(2R,3R,4R,5R)-5-(5-carbamoylpyridin-1-yl)-3,4-dihydroxy-oxola
n-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic
acid
445203 [(2R,3R,4R,5S)-2-(6-aminopurin-9-yl)-5-[[[[(2R,3R,4R,5R)-5-(5-carbamoylpyridin-1-yl)-3,4-dihydroxy-oxola
n-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic
acid

internal high similarity DBLink | Rows returned: 2
LOPAC 00471 0.9066
SPE01500419 0.9714

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