[125I]ICYP   Click here for help

GtoPdb Ligand ID: 562

Synonyms: [125I]iodocyanopindolol
 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 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
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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
References
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. 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]
3. 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]
4. 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]
5. 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]
6. Strosberg AD. (1997)
Structure and function of the beta 3-adrenergic receptor.
Annu Rev Pharmacol Toxicol, 37: 421-50. [PMID:9131260]