| Compound Information | SONAR Target prediction | | Name: | Citicoline sodium | | Unique Identifier: | LOPAC 00475 | | MolClass: | Checkout models in ver1.5 and ver1.0 | | Molecular Formula: | C13H23N4NaO11P2 | | Molecular Weight: | 473.097 g/mol | | X log p: | 0.115 (online calculus) | | Lipinksi Failures | 1 | | TPSA | 169.47 | | Hydrogen Bond Donor Count: | 0 | | Hydrogen Bond Acceptors Count: | 15 | | Rotatable Bond Count: | 9 | | Canonical Smiles: | [Na+].[O-]P(=O)(OCC1OC(C(O)C1O)N1C=CC(N)=NC1=O)OP([O-])(=O)OCN(C)(C)C | | Class: | Lipid | | Action: | Inhibitor | | Selectivity: | PLA2 |
| Species: |
4932 |
| Condition: |
BY4741 |
| Replicates: |
8 |
| Raw OD Value: r im |
0.7999±0.117301 |
| Normalized OD Score: sc h |
0.9992±0.0175968 |
| Z-Score: |
-0.0610±0.739298 |
| p-Value: |
0.666158 |
| Z-Factor: |
-18.4259 |
| Fitness Defect: |
0.4062 |
| Bioactivity Statement: |
Nonactive |
| Experimental Conditions | | | Library: | Lopac | | Plate Number and Position: | 3|H8 | | Drug Concentration: | 50.00 nM | | OD Absorbance: | 600 nm | | Robot Temperature: | 27.60 Celcius | | Date: | 2005-04-07 YYYY-MM-DD | | Plate CH Control (+): | 0.045962499999999996±0.00136 | | Plate DMSO Control (-): | 0.7777812499999999±0.02984 | | Plate Z-Factor: | 0.8704 |
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ps
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| DBLink | Rows returned: 2 | |
| 6604068 |
sodium
[[[(2S,3S,4S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-oxido-phosphoryl]oxy
-oxido-phosphoryl]oxymethyl-trimethyl-azanium |
| 6604069 |
[[[(2S,3S,4S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]o
xy-hydroxy-phosphoryl]oxymethyl-trimethyl-azanium |
| internal high similarity DBLink | Rows returned: 1 | |
| active | Cluster 7710 | Additional Members: 3 | Rows returned: 0 | |
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