Compound Information | SONAR Target prediction | Name: | NADPH tetrasodium | Unique Identifier: | LOPAC 00455 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | C21H26N7Na4O17P3 | Molecular Weight: | 807.142 g/mol | X log p: | 5.025 (online calculus) | Lipinksi Failures | 3 | TPSA | 288.89 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 24 | Rotatable Bond Count: | 13 | Canonical Smiles: | [Na+].[Na+].[Na+].[Na+].[O-]P([O-])(=O)OC1C(O)C(COP([O-])(=O)OP([O-])( =O)OCC2OC(C(O)C2O)N2C=CCC(=C2)C(N)=O)OC1n1cnc2c(N)ncnc12 | Class: | Nitric Oxide | Action: | Cofactor | Generic_name: | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUC | Chemical_iupac_name: | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDEPHOSPHATE | Drug_type: | Experimental | Drugbank_id: | EXPT02321 | Drug_category: | Pteridine Reductase inhibitor | Organisms_affected: | -1 |
Species: |
4932 |
Condition: |
MT2481-pdr1pdr3 |
Replicates: |
2 |
Raw OD Value: r im |
0.6604±0.00169706 |
Normalized OD Score: sc h |
0.9978±0.00145993 |
Z-Score: |
-0.1211±0.0739003 |
p-Value: |
0.903714 |
Z-Factor: |
-399.926 |
Fitness Defect: |
0.1012 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Lopac | Plate Number and Position: | 11|H9 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 27.80 Celcius | Date: | 2005-04-08 YYYY-MM-DD | Plate CH Control (+): | 0.047125±0.00074 | Plate DMSO Control (-): | 0.63655±0.01133 | Plate Z-Factor: | 0.9330 |
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930 |
[2-(6-aminopurin-9-yl)-5-[[[[5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-p hosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic acid |
5884 |
[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[[[[(2R,3R,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxy-o xolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphospho nic acid |
2733511 |
tetrasodium 1-[(2R,3R,4R,5R)-5-[[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonatooxy-oxolan-2-yl]methox y-oxido-phosphoryl]oxy-oxido-phosphoryl]oxymethyl]-3,4-dihydroxy-oxolan-2-yl]-4H-pyridine-3-carboxamide tetrahydrate |
3654102 |
1-[5-[[[[5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonatooxy-oxolan-2-yl]methoxy-oxido-phosphoryl]oxy-oxido -phosphoryl]oxymethyl]-3,4-dihydroxy-oxolan-2-yl]-4H-pyridine-3-carboxamide |
6604143 |
tetrasodium 1-[(2R,3S,4S,5S)-5-[[[[(2S,3R,4S,5S)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonatooxy-oxolan-2-yl]methox y-oxido-phosphoryl]oxy-oxido-phosphoryl]oxymethyl]-3,4-dihydroxy-oxolan-2-yl]-4H-pyridine-3-carboxamide |
6604144 |
[(2S,3S,4R,5S)-2-(6-aminopurin-9-yl)-5-[[[[(2S,3S,4S,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxy-o xolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphospho nic acid |
internal high similarity DBLink | Rows returned: 0 | |
active | Cluster 306 | Additional Members: 11 | Rows returned: 0 | |
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