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Compound InformationSONAR Target prediction
Name:

NADIDE

Unique Identifier:SPE01500419
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:636.211 g/mol
X log p:8.399  (online calculus)
Lipinksi Failures3
TPSA183.37
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:20
Rotatable Bond Count:11
Canonical Smiles:[O-]P(=O)(OCC1OC(C(O)C1O)[n+]1cccc(c1)C(N)=O)OP(O)(=O)OCC1OC(C(O)C1O)n
1cnc2c(N)ncnc12
Source:synthetic
Therapeutics:alcohol and narcotic antagonist
Generic_name:3-ACETYLPYRIDINE ADENINE DINUCLEOTIDE
Chemical_iupac_name:3-ACETYLPYRIDINE ADENINE DINUCLEOTIDE
Drug_type:Experimental
Drugbank_id:EXPT00368
Drug_category:Lactate Dehydrogenase inhibitor
Organisms_affected:-1

Found: 205 nonactive as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [205]
Species: 4932
Condition: SLT2
Replicates: 2
Raw OD Value: r im 0.8680±0.00183848
Normalized OD Score: sc h 0.9837±0.00280116
Z-Score: -0.9580±0.139932
p-Value: 0.340428
Z-Factor: -1.5956
Fitness Defect: 1.0776
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:4|A5
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.08449999999999999±0.01154
Plate DMSO Control (-):0.9460000000000001±0.04873
Plate Z-Factor:0.7539
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DBLink | Rows returned: 302 3 4 5 Next >> 
925 [5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-[[5-(5-carbamoylpyridin-1-yl)-3,4-dihydroxy-oxo
lan-2-yl]methoxy-oxido-phosphoryl]oxy-phosphinic acid
926 [[5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-[[5-(5-carbamoylpyridin
-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy]phosphinic acid
5892 [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-[[(2R,3R,4R,5R)-5-(5-carbamoylpyr
idin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-oxido-phosphoryl]oxy-phosphinic acid
5893 [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-[[(2R,3R,
4R,5R)-5-(5-carbamoylpyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy]phosphinic acid
111288 [(2R,3R,4R,5S)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-[[(2R,3R,4R,5S)-5-(5-carbamoylpyr
idin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-oxido-phosphoryl]oxy-phosphinic acid
111289 [[(2R,3R,4R,5S)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-[[(2R,3R,
4R,5S)-5-(5-carbamoylpyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy]phosphinic acid

internal high similarity DBLink | Rows returned: 1
SPE01503902 0.9714

nonactive | Cluster 306 | Additional Members: 11 | Rows returned: 102 Next >> 
LOPAC 00455 0.491666666666667
LOPAC 00029 0.490384615384615
LOPAC 00702 0.477477477477477
LOPAC 01337 0.470588235294118
LOPAC 00015 0.466666666666667
LOPAC 00041 0.315789473684211

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