[125I]ICYP   Click here for help

GtoPdb Ligand ID: 562

Synonyms: [125I]iodocyanopindolol
 Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
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 3
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 81.07
Molecular weight 399.04
XLogP 2.67
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES OC(COc1cccc2c1c(I)c([nH]2)C#N)CNC(C)C
Isomeric SMILES OC(COc1cccc2c1c([125I])c([nH]2)C#N)CNC(C)C
InChI InChI=1S/C15H18IN3O2/c1-9(2)18-7-10(20)8-21-13-5-3-4-11-14(13)15(16)12(6-17)19-11/h3-5,9-10,18-20H,7-8H2,1-2H3/i16-2
InChI Key WGSPBWSPJOBKNT-RFLHHMENSA-N
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
β2-adrenoceptor Hs Antagonist Antagonist 11.1 pKd - 2,5
pKd 11.1 (Kd 7.9x10-12 M) It is necessary to use an excess of a β1-AR-selective ligand such as CGP20712A in combination with this radioligand in order to allow visualisation of β2-AR binding in native tissues. [2,5]
β1-adrenoceptor Hs Antagonist Antagonist 10.4 – 11.3 pKd - 1-2,5
pKd 10.4 – 11.3 (Kd 3.9x10-11 – 4.99x10-12 M) It is necessary to use an excess of a β2-AR-selective ligand such as ICI 118551 in combination with this radioligand in order to allow visualisation of β1-AR binding in native tissue. [1-2,5]
β3-adrenoceptor Hs Agonist Partial agonist 9.2 – 9.8 pKd - 2-6
pKd 9.2 – 9.8 (Kd 6.31x10-10 – 1.58x10-10 M) [2-6]
β3-adrenoceptor Mm Agonist Partial agonist 9.3 – 9.4 pKd - 4
pKd 9.3 – 9.4 [4]
β3-adrenoceptor Rn Agonist Partial agonist 9.2 pKd - 4
pKd 9.2 [4]
Ligand mentioned in the following text fields