[3H]U69593   Click here for help

GtoPdb Ligand ID: 1656

Synonyms: [3H]-U69593
 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 4
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 32.78
Molecular weight 356.25
XLogP 3.02
No. Lipinski's rules broken 0
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Canonical SMILES O=C(N(C1CCC2(CC1N1CCCC1)CCCO2)C)Cc1ccccc1
Isomeric SMILES O=C(N([C@H]1CC[C@]2(C[C@@H]1N1CCCC1)CCCO2)C)Cc1ccccc1
InChI InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1
1. Lahti RA, Mickelson MM, McCall JM, Von Voigtlander PF. (1985)
[3H]U-69593 a highly selective ligand for the opioid kappa receptor.
Eur J Pharmacol, 109 (2): 281-4. [PMID:2986999]
2. Payza K. (2003)
Binding and activity of opioid ligands at the cloned human delta, mu and kappa receptors.  In  The Delta Receptor
Edited by Chang KJ (CRC Press) 261-275. [ISBN:0824740319]
3. Simonin F, Gavériaux-Ruff C, Befort K, Matthes H, Lannes B, Micheletti G, Mattéi MG, Charron G, Bloch B, Kieffer B. (1995)
kappa-Opioid receptor in humans: cDNA and genomic cloning, chromosomal assignment, functional expression, pharmacology, and expression pattern in the central nervous system.
Proc Natl Acad Sci USA, 92 (15): 7006-10. [PMID:7624359]