[123I]iodoproxyfan   Click here for help

GtoPdb Ligand ID: 1264

Synonyms: [125I]-iodoproxyfan
 Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 37.91
Molecular weight 342.02
XLogP 2.97
No. Lipinski's rules broken 0
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Canonical SMILES Ic1ccc(cc1)COCCCc1cnc[nH]1
Isomeric SMILES [123I]c1ccc(cc1)COCCCc1cnc[nH]1
InChI InChI=1S/C13H15IN2O/c14-12-5-3-11(4-6-12)9-17-7-1-2-13-8-15-10-16-13/h3-6,8,10H,1-2,7,9H2,(H,15,16)/i14-4
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
H3 receptor Rn Antagonist Antagonist 10.3 pKd - 1
pKd 10.3 [1]
H3 receptor Hs Antagonist Antagonist 10.2 pKd - 1
pKd 10.2 (Kd 6.3x10-11 M) [1]