Compound Information | SONAR Target prediction | Name: | SODIUM beta-NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE | Unique Identifier: | SPE01503902 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | C21H27N7NaO17P3 | Molecular Weight: | 738.173 g/mol | X log p: | 6.741 (online calculus) | Lipinksi Failures | 3 | TPSA | 242.54 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 23 | Rotatable Bond Count: | 13 | Canonical Smiles: | [Na+].[O-]P(O)(=O)OC1C(O)C(COP(O)(=O)OP([O-])(=O)OCC2OC(C(O)C2O)[n+]2c ccc(c2)C(N)=O)OC1n1cnc2c(N)ncnc12 | Therapeutics: | cofactor in aryl & steroidal hydroxylation | Generic_name: | 2--MONOPHOSPHOADENOSINE 5--DIPHOSPHORIBO | Chemical_iupac_name: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Drug_type: | Experimental | Drugbank_id: | EXPT02293 | Drug_category: | Aldose Reductase inhibitor | Organisms_affected: | -1 |
Species: |
4932 |
Condition: |
SWE1 |
Replicates: |
2 |
Raw OD Value: r im |
0.8240±0.00890955 |
Normalized OD Score: sc h |
1.0272±0.00454048 |
Z-Score: |
0.8223±0.202911 |
p-Value: |
0.415724 |
Z-Factor: |
-1.36461 |
Fitness Defect: |
0.8777 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 17|F2 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 24.90 Celcius | Date: | 2006-04-19 YYYY-MM-DD | Plate CH Control (+): | 0.0383±0.00282 | Plate DMSO Control (-): | 0.796175±0.01742 | Plate Z-Factor: | 0.9347 |
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929 |
[2-(6-aminopurin-9-yl)-5-[[[[5-(5-carbamoylpyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosp horyl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic acid |
2362 |
[5-(6-aminopurin-9-yl)-3-hydroxy-4-(hydroxy-oxido-phosphoryl)oxy-oxolan-2-yl]methoxy-[[5-(5-carbamoylpyr idin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-oxido-phosphoryl]oxy-phosphinic acid |
4412 |
[2-(6-aminopurin-9-yl)-5-[[[[5-(5-carbamoylpyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-oxido-phospho ryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic acid |
5885 |
[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[[[[(2R,3R,4R,5R)-5-(5-carbamoylpyridin-1-yl)-3,4-dihydroxy-oxola n-2-yl]methoxy-oxido-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic acid |
5886 |
[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[[[[(2R,3R,4R,5R)-5-(5-carbamoylpyridin-1-yl)-3,4-dihydroxy-oxola n-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic acid |
445203 |
[(2R,3R,4R,5S)-2-(6-aminopurin-9-yl)-5-[[[[(2R,3R,4R,5R)-5-(5-carbamoylpyridin-1-yl)-3,4-dihydroxy-oxola n-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic acid |
internal high similarity DBLink | Rows returned: 2 | |
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