[125I]SD6   Click here for help

GtoPdb Ligand ID: 7770

 Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
Comment: [125I]-SD6 is a radio-labelled, non-selective melatonin receptor ligand.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 54.12
Molecular weight 358.02
XLogP 2.38
No. Lipinski's rules broken 0
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Canonical SMILES COc1cc2c(CCNC(=O)CI)c[nH]c2cc1
Isomeric SMILES COc1cc2c(CCNC(=O)C[125I])c[nH]c2cc1
InChI InChI=1S/C13H15IN2O2/c1-18-10-2-3-12-11(6-10)9(8-16-12)4-5-15-13(17)7-14/h2-3,6,8,16H,4-5,7H2,1H3,(H,15,17)/i14-2
1. Legros C, Brasseur C, Delagrange P, Ducrot P, Nosjean O, Boutin JA. (2016)
Alternative Radioligands for Investigating the Molecular Pharmacology of Melatonin Receptors.
J Pharmacol Exp Ther, 356 (3): 681-92. [PMID:26759496]
2. Legros C, Matthey U, Grelak T, Pedragona-Moreau S, Hassler W, Yous S, Thomas E, Suzenet F, Folleas B, Lefoulon F et al.. (2013)
New Radioligands for Describing the Molecular Pharmacology of MT1 and MT2 Melatonin Receptors.
Int J Mol Sci, 14 (5): 8948-62. [PMID:23698757]