Home | Screening data | Screen comparisons | Search for compounds | Structure search

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: DOA4
Replicates: 2
Raw OD Value: r im 0.6476±0.0059397
Normalized OD Score: sc h 0.9759±0.0108706
Z-Score: -0.9497±0.413565
p-Value: 0.362598
Z-Factor: -4.73664
Fitness Defect: 1.0145
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:1|G8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.40 Celcius
Date:2008-05-02 YYYY-MM-DD
Plate CH Control (+):0.040374999999999994±0.00229
Plate DMSO Control (-):0.6373±0.02883
Plate Z-Factor:0.8926
png
ps
pdf

DBLink | Rows returned: 121 2 Next >> 
291 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
LOPAC 00475 0.9372

active | Cluster 3538 | Additional Members: 13 | Rows returned: 0
Service provided by the Mike Tyers Laboratory