| 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: |
CCR4 |
| Replicates: |
2 |
| Raw OD Value: r im |
0.6593±0.00360624 |
| Normalized OD Score: sc h |
1.0013±0.00818696 |
| Z-Score: |
0.0542±0.346606 |
| p-Value: |
0.806668 |
| Z-Factor: |
-39.8007 |
| Fitness Defect: |
0.2148 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | SPECMTS3 | | Plate Number and Position: | 1|G8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 28.70 Celcius | | Date: | 2008-04-16 YYYY-MM-DD | | Plate CH Control (+): | 0.04205±0.00089 | | Plate DMSO Control (-): | 0.62385±0.02028 | | Plate Z-Factor: | 0.8680 |
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ps
pdf |
| 440026 |
[[(2R,3R,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]ox
y-(2-methylaminoethoxy)phosphinic acid |
| 517713 |
sodium
2-[[[5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosp
horyl]oxyethyl-trimethyl-azanium |
| 3262720 |
[[5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-(2-methylami
noethoxy)phosphinic acid |
| 3743107 |
2-[[[5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosp
horyl]oxyethyl-trimethyl-azanium |
| 3901273 |
2-[[[5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-oxido-phosphoryl]oxy-hydroxy-pho
sphoryl]oxyethyl-trimethyl-azanium |
| 6710759 |
2-[[[(2R,3R,4R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]ox
y-hydroxy-phosphoryl]oxyethyl-trimethyl-azanium |
| internal high similarity DBLink | Rows returned: 1 | |
| active | Cluster 3538 | Additional Members: 13 | Rows returned: 0 | |
|
