[125I]ICYP   Click here for help

GtoPdb Ligand ID: 562

Synonyms: [125I]cyanopindolol | [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
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
1. Isogaya M, Sugimoto Y, Tanimura R, Tanaka R, Kikkawa H, Nagao T, Kurose H. (1999)
Binding pockets of the beta(1)- and beta(2)-adrenergic receptors for subtype-selective agonists.
Mol Pharmacol, 56 (5): 875-85. [PMID:10531390]
2. Joseph SS, Lynham JA, Grace AA, Colledge WH, Kaumann AJ. (2004)
Markedly reduced effects of (-)-isoprenaline but not of (-)-CGP12177 and unchanged affinity of beta-blockers at Gly389-beta1-adrenoceptors compared to Arg389-beta1-adrenoceptors.
Br J Pharmacol, 142 (1): 51-6. [PMID:15037517]
3. Louis SN, Nero TL, Iakovidis D, Jackman GP, Louis WJ. (1999)
LK 204-545, a highly selective beta1-adrenoceptor antagonist at human beta-adrenoceptors.
Eur J Pharmacol, 367 (2-3): 431-5. [PMID:10079020]
4. Molenaar P, Sarsero D, Arch JR, Kelly J, Henson SM, Kaumann AJ. (1997)
Effects of (-)-RO363 at human atrial beta-adrenoceptor subtypes, the human cloned beta 3-adrenoceptor and rodent intestinal beta 3-adrenoceptors.
Br J Pharmacol, 120 (2): 165-76. [PMID:9117106]
5. Popp BD, Hutchinson DS, Evans BA, Summers RJ. (2004)
Stereoselectivity for interactions of agonists and antagonists at mouse, rat and human beta3-adrenoceptors.
Eur J Pharmacol, 484 (2-3): 323-31. [PMID:14744619]
6. Sato Y, Kurose H, Isogaya M, Nagao T. (1996)
Molecular characterization of pharmacological properties of T-0509 for beta-adrenoceptors.
Eur J Pharmacol, 315 (3): 363-7. [PMID:8982677]
7. Strosberg AD. (1997)
Structure and function of the beta 3-adrenergic receptor.
Annu Rev Pharmacol Toxicol, 37: 421-50. [PMID:9131260]
8. Sykes DA, Charlton SJ. (2012)
Slow receptor dissociation is not a key factor in the duration of action of inhaled long-acting β2-adrenoceptor agonists.
Br J Pharmacol, 165 (8): 2672-83. [PMID:21883146]