[18F]PF-06684511   Click here for help

GtoPdb Ligand ID: 9832

 Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
Comment: PF-06684511 with high specific binding to BACE1 in brain, upon radiolabeling with [18F] demonstrated favourable uptake and high in vivo specificity in nonhuman primate, suggesting its potential for imaging BACE1 in vivo [1].
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 137.02
Molecular weight 435.12
XLogP 1.48
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES FCC1OCC2(C1CSC(=N2)N)c1cc(ccc1F)NC(=O)c1cnc(cn1)OC
Isomeric SMILES [18F]CC1OCC2(C1CSC(=N2)N)c1cc(ccc1F)NC(=O)c1cnc(cn1)OC
InChI InChI=1S/C19H19F2N5O3S/c1-28-16-7-23-14(6-24-16)17(27)25-10-2-3-13(21)11(4-10)19-9-29-15(5-20)12(19)8-30-18(22)26-19/h2-4,6-7,12,15H,5,8-9H2,1H3,(H2,22,26)(H,25,27)/i20-1
InChI Key YZXTXNWZTAVDKH-LRFGSCOBSA-N