Compound Information | SONAR Target prediction | Name: | CITICOLINE | Unique Identifier: | SPE01505244 | MolClass: | Checkout models in ver1.5 and ver1.0 | Molecular Formula: | | Molecular Weight: | 462.118 g/mol | X log p: | 0.114999999999999 (online calculus) | Lipinksi Failures | 1 | TPSA | 146.41 | Hydrogen Bond Donor Count: | 0 | Hydrogen Bond Acceptors Count: | 14 | Rotatable Bond Count: | 10 | Canonical Smiles: | [O-]P(=O)(OCC[N+](C)(C)C)OP(O)(=O)OCC1OC(C(O)C1O)N1C=CC(N)=NC1=O | Source: | cytidine-5--diphosphocholine | Reference: | J Neurochem 65: 889 (1995); Neurosci Lett 273: 163 (1999) | Therapeutics: | cognition enhancer, phosphocholine cytidyltransferase activator | Generic_name: | [2-CYTIDYLATE-O--PHOSPHONYLOXYL]-ETHYL-T | Chemical_iupac_name: | [2-CYTIDYLATE-O--PHOSPHONYLOXYL]-ETHYL-TRIMETHYL-AMMONIUM | Drug_type: | Experimental | Drugbank_id: | EXPT00867 | Drug_category: | Ctp: Phosphocholine Cytidylytransferase inhibitor | Organisms_affected: | -1 |
Species: |
4932 |
Condition: |
DEP1 |
Replicates: |
2 |
Raw OD Value: r im |
0.6947±0.00954594 |
Normalized OD Score: sc h |
0.9895±0.000569067 |
Z-Score: |
-0.4693±0.0711651 |
p-Value: |
0.639268 |
Z-Factor: |
-6.42813 |
Fitness Defect: |
0.4474 |
Bioactivity Statement: |
Nonactive |
Experimental Conditions | | Library: | Spectrum | Plate Number and Position: | 24|B11 | Drug Concentration: | 50.00 nM | OD Absorbance: | 600 nm | Robot Temperature: | 26.10 Celcius | Date: | 2005-12-22 YYYY-MM-DD | Plate CH Control (+): | 0.0402±0.00167 | Plate DMSO Control (-): | 0.697825±0.02401 | Plate Z-Factor: | 0.8221 |
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2-[[[5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-p hosphoryl]oxyethyl-trimethyl-azanium |
13804 |
2-[[[(2R,3R,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl ]oxy-oxido-phosphoryl]oxyethyl-trimethyl-azanium |
13805 |
2-[[[(2R,3R,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl ]oxy-hydroxy-phosphoryl]oxyethyl-trimethyl-azanium |
36605 |
sodium 2-[[[(2R,3R,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-oxido-phosphoryl]o xy-oxido-phosphoryl]oxyethyl-trimethyl-azanium |
125658 |
2-[[[(2R,3R,4S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-oxido-phosphoryl]o xy-hydroxy-phosphoryl]oxyethyl-trimethyl-azanium |
125659 |
2-[[[(2R,3R,4S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl ]oxy-hydroxy-phosphoryl]oxyethyl-trimethyl-azanium |
internal high similarity DBLink | Rows returned: 1 | |
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