[11C]GSK215083   

GtoPdb Ligand ID: 8430

   
Compound class: Synthetic organic
Comment: [11C]GSK215083 is used as a PET radioligand, to allow in vivo imaging of serotonin 5-HT6 receptor distribution [2]. GSK215083 is a 5-HT6 receptor antagonist with a lipophilicity profile permitting brain penetrance [1].
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 61.89
Molecular weight 385.13
XLogP 3.23
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CN1CCN(CC1)c1cccc2c1ncc(c2)S(=O)(=O)c1cccc(c1)F
Isomeric SMILES [11CH3]N1CCN(CC1)c1cccc2c1ncc(c2)S(=O)(=O)c1cccc(c1)F
InChI InChI=1S/C20H20FN3O2S/c1-23-8-10-24(11-9-23)19-7-2-4-15-12-18(14-22-20(15)19)27(25,26)17-6-3-5-16(21)13-17/h2-7,12-14H,8-11H2,1H3/i1-1
InChI Key PXVJEDOZGDZJQY-BJUDXGSMSA-N
Classification
Compound class Synthetic organic
IUPAC Name
3-(3-fluorophenyl)sulfonyl-8-(4-methylpiperazin-1-yl)quinoline
Database Links
CAS Registry No. 887923-36-6 (source: PubChem)
GtoPdb PubChem SID 252166640
PubChem CID 11696674
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