| 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: |
ATP4 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6682±0.0421436 |
| Normalized OD Score: sc h |
1.0847±0.00465851 |
| Z-Score: |
3.1613±0.377073 |
| p-Value: |
0.00220162 |
| Z-Factor: |
-0.364891 |
| Fitness Defect: |
6.1186 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 9|D5 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 22.90 Celcius | | Date: | 2008-03-06 YYYY-MM-DD | | Plate CH Control (+): | 0.0395±0.00048 | | Plate DMSO Control (-): | 0.613±0.02133 | | Plate Z-Factor: | 0.8491 |
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| 445842 |
[[(2R,3R,4R)-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 |
| 445941 |
[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-[[(2R,3R,
4R)-5-(5-carbamoylpyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy]phosphinic acid |
| 446251 |
[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-[[(2S,3S,
4S,5R)-5-(5-carbamoylpyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy]phosphinic acid |
| 447143 |
[[(2S,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 |
| 447631 |
[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-[[(2S,3R,
4R,5R)-5-(5-carbamoylpyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy]phosphinic acid |
| 447862 |
[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-[[(2S,3S,
4S,5S)-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 | |
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