[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].
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
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
SMILES / InChI / InChIKey
Click here for help
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
InChI Key VEURHZYLLRSEGL-JVVVGQRLSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-ethyl-6-[(4-methoxycyclohexyl)carbonyl]-2-(11C)methylquinoline
Synonyms Click here for help
[11C]-JNJ-16567083
Database Links Click here for help
GtoPdb PubChem SID 178100424
PubChem CID 9972691
Search Google for chemical match using the InChIKey VEURHZYLLRSEGL-JVVVGQRLSA-N
Search Google for chemicals with the same backbone VEURHZYLLRSEGL
Search UniChem for chemical match using the InChIKey VEURHZYLLRSEGL-JVVVGQRLSA-N
Search UniChem for chemicals with the same backbone VEURHZYLLRSEGL