Compound Information | SONAR 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 Failures | 3 | TPSA | 183.37 | 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 |
Species: |
4932 |
Condition: |
NUM1 |
Replicates: |
2 |
Raw OD Value: r im |
0.6869±0.000212132 |
Normalized OD Score: sc h |
0.9654±0.0103308 |
Z-Score: |
-1.5394±0.430623 |
p-Value: |
0.141037 |
Z-Factor: |
-1.88987 |
Fitness Defect: |
1.9587 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 17|A7 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 27.10 Celcius | Date: | 2006-02-10 YYYY-MM-DD | Plate CH Control (+): | 0.041725±0.00118 | Plate DMSO Control (-): | 0.670775±0.01677 | Plate Z-Factor: | 0.9152 |
| png ps pdf |
188996 |
(2R,3R,4R,5R)-5-[[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]ox y-hydroxy-phosphoryl]oxymethyl]-2-(5-carbamoylpyridin-1-yl)-4-hydroxy-oxolan-3-olate |
188997 |
[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-oxolan-2-yl]methoxy-[[(2R,3R,4R,5R)-5-(5-carbamoylpyridin-1- yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-phosphinic acid |
196444 |
(2R,3R,4R,5R)-5-[[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosph oryl]oxy-hydroxy-phosphoryl]oxymethyl]-2-(5-carbamoylpyridin-1-yl)-4-hydroxy-oxolan-3-olate |
196623 |
(2S,3S,4R,5R)-5-[[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosph oryl]oxy-hydroxy-phosphoryl]oxymethyl]-2-(5-carbamoylpyridin-1-yl)-4-hydroxy-oxolan-3-olate |
196624 |
[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-[[(2R,3R, 4S,5S)-5-(5-carbamoylpyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy]phosphinic acid |
445582 |
[[(2R,3R,4R,5S)-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 |
internal high similarity DBLink | Rows returned: 1 | |
active | Cluster 306 | Additional Members: 11 | Rows returned: 0 | |
|