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Compound InformationSONAR 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 Failures1
TPSA146.41
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

Found: 205 nonactive as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [205]
Species: 4932
Condition: DNM1
Replicates: 2
Raw OD Value: r im 0.6731±0.0108187
Normalized OD Score: sc h 0.9632±0.00845307
Z-Score: -1.5025±0.508754
p-Value: 0.157847
Z-Factor: -1.66066
Fitness Defect: 1.8461
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:1|G8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.80 Celcius
Date:2008-03-07 YYYY-MM-DD
Plate CH Control (+):0.040675±0.00064
Plate DMSO Control (-):0.6790750000000001±0.01427
Plate Z-Factor:0.9460
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DBLink | Rows returned: 12<< Back 1 2
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
LOPAC 00475 0.9372

active | Cluster 3538 | Additional Members: 13 | Rows returned: 0
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