[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.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
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
Click here for help
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
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
MT1 receptor Hs Agonist Full agonist 10.9 – 11.0 pKd - 1-2
pKd 11.0 (Kd 1.1x10-11 M) [1-2]
pKd 10.9 (Kd 1.4x10-11 M) [2]
MT2 receptor Hs Agonist Full agonist 10.2 – 10.2 pKd - 1-2
pKd 10.2 (Kd 6.6x10-11 M) [2]
pKd 10.2 (Kd 6.6x10-11 M) [1-2]