[11C]JNJ-16567083   Click here for help

GtoPdb Ligand ID: 3418

Synonyms: [11C]-JNJ-16567083
 Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
Comment: An experimental radiotracer which is an antagonist of the metabotropic glutamate receptor mGlu1. The radiotracer was developed for imaging mGlu1 receptor in vivo [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 39.19
Molecular weight 311.19
XLogP 3.78
No. Lipinski's rules broken 0
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Canonical SMILES COC1CCC(CC1)C(=O)c1ccc2c(c1)cc(c(n2)C)CC
Isomeric SMILES COC1CCC(CC1)C(=O)c1ccc2c(c1)cc(c(n2)[11CH3])CC
InChI InChI=1S/C20H25NO2/c1-4-14-11-17-12-16(7-10-19(17)21-13(14)2)20(22)15-5-8-18(23-3)9-6-15/h7,10-12,15,18H,4-6,8-9H2,1-3H3/i2-1
1. Huang Y, Narendran R, Bischoff F, Guo N, Zhu Z, Bae SA, Lesage AS, Laruelle M. (2005)
A positron emission tomography radioligand for the in vivo labeling of metabotropic glutamate 1 receptor: (3-ethyl-2-[11C]methyl-6-quinolinyl)(cis- 4-methoxycyclohexyl)methanone.
J Med Chem, 48 (16): 5096-9. [PMID:16078827]