| 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: |
COT1 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6955±0.00141421 |
| Normalized OD Score: sc h |
0.9878±0.0001034 |
| Z-Score: |
-0.6299±0.0133842 |
| p-Value: |
0.528762 |
| Z-Factor: |
-7.06543 |
| Fitness Defect: |
0.6372 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Spectrum | | Plate Number and Position: | 17|A7 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.70 Celcius | | Date: | 2007-11-20 YYYY-MM-DD | | Plate CH Control (+): | 0.0419±0.00117 | | Plate DMSO Control (-): | 0.687925±0.01860 | | Plate Z-Factor: | 0.8999 |
|  png
ps
pdf |
| 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 | |
|
