[18F]fluoroethylflumazenil   Click here for help

GtoPdb Ligand ID: 4368

Synonyms: [18F]fluoroethylflumazenil (PET ligand)
 Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 63.91
Molecular weight 335.11
XLogP 3.54
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES FCCN1Cc2c(ncn2c2c(C1=O)cc(F)cc2)C(=O)OCC
Isomeric SMILES [18F]CCN1Cc2c(ncn2c2c(C1=O)cc(F)cc2)C(=O)OCC
InChI InChI=1S/C16H15F2N3O3/c1-2-24-16(23)14-13-8-20(6-5-17)15(22)11-7-10(18)3-4-12(11)21(13)9-19-14/h3-4,7,9H,2,5-6,8H2,1H3/i17-1
InChI Key NRBIGDVWCXXFLI-SJPDSGJFSA-N
Selectivity at ion channels
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
GABAA receptor α1 subunit Hs Allosteric modulator Antagonist - - -
[Binds to: benzodiazepine site]
GABAA receptor α2 subunit Hs Allosteric modulator Antagonist - - -
[Binds to: benzodiazepine site]
GABAA receptor α3 subunit Hs Allosteric modulator Antagonist - - -
[Binds to: benzodiazepine site]
GABAA receptor α4 subunit Hs Allosteric modulator Antagonist - - -
[Binds to: benzodiazepine site]
GABAA receptor α5 subunit Hs Allosteric modulator Antagonist - - -
[Binds to: benzodiazepine site]
GABAA receptor α6 subunit Hs Allosteric modulator Antagonist - - -
[Binds to: benzodiazepine site]