| Compound Information | SONAR Target prediction | | Name: | Beta-Nicotinamide Adenine Dinucleotide | | Unique Identifier: | LAT007A02 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C21H27N7O14P2 | | 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)n1cnc2c(N)ncnc12)OP(O)(=O)OCC1OC(C(O)C1O)[n+]
1cccc(c1)C(N)=O | | 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: |
pdr18h |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6495±0.0103945 |
| Normalized OD Score: sc h |
1.0049±0.00735324 |
| Z-Score: |
0.2698±0.191077 |
| p-Value: |
0.78917 |
| Z-Factor: |
-12.4621 |
| Fitness Defect: |
0.2368 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | LATCA | | Plate Number and Position: | 7|A2 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 25.50 Celcius | | Date: | 2007-03-08 YYYY-MM-DD | | Plate CH Control (+): | 0.039825±0.00225 | | Plate DMSO Control (-): | 0.6298250000000001±0.01052 | | Plate Z-Factor: | 0.9414 |
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| 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: 2 | |
| active | Cluster 306 | Additional Members: 11 | Rows returned: 0 | |
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