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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 1 2 3 4 5 6 7 8 9 10  Next >> [205]
Species: 4932
Condition: IRE1
Replicates: 2
Raw OD Value: r im 0.7720±0.00212132
Normalized OD Score: sc h 0.9827±0.00376485
Z-Score: 0.1763±0.207864
p-Value: 0.86156
Z-Factor: -15.8214
Fitness Defect: 0.149
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 (+):0.10149999999999999±0.00740
Plate DMSO Control (-):0.94425±0.03978
Plate Z-Factor:0.8448
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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: 10<< Back 1 2
LOPAC 00471 0.223300970873786
SPE01503902 0.17
Prest111 0
LAT007A02 0

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