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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: ABP1
Replicates: 2
Raw OD Value: r im 0.7123±0.00516188
Normalized OD Score: sc h 1.0278±0.0032039
Z-Score: 1.4204±0.231496
p-Value: 0.161008
Z-Factor: -1.79737
Fitness Defect: 1.8263
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:9|D5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.50 Celcius
Date:2007-12-20 YYYY-MM-DD
Plate CH Control (+):0.041675000000000004±0.00181
Plate DMSO Control (-):0.6716±0.01301
Plate Z-Factor:0.9280
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DBLink | Rows returned: 30<< Back 1 2 3 4 5 Next >> 
448148 [[(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]-oxo-phosphanium
2723688 [(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 tetrahydrate
3033990 disodium
1-[(2R,3R,4R,5R)-5-[[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-oxido-phosp
horyl]oxy-oxido-phosphoryl]oxymethyl]-3,4-dihydroxy-oxolan-2-yl]pyridine-5-carboxamide
4231851 [[5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-oxido-phosphoryl]oxy-[[5-(5-carbamoylpyridin-1
-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy]phosphinic acid
5315996 [[(2S,3S,4S,5S)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-oxido-phosphoryl]oxy-[[(2R,3R,4R
,5R)-5-(5-carbamoylpyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy]phosphinic acid
5315997 [(2S,3S,4S,5S)-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-hydroxy-phosphoryl]oxy-phosphinic acid

internal high similarity DBLink | Rows returned: 1
SPE01503902 0.9714

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