ethyketazocine   Click here for help

GtoPdb Ligand ID: 1610

Abbreviated name: EKC
Synonyms: (±)-EKC | WIN-35,197-2
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 40.54
Molecular weight 299.19
XLogP 3.36
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCC12CCN(C(C1C)C(=O)c1c2cc(O)cc1)CC1CC1
Isomeric SMILES CC[C@@]12CCN([C@H]([C@H]1C)C(=O)c1c2cc(O)cc1)CC1CC1
InChI InChI=1S/C19H25NO2/c1-3-19-8-9-20(11-13-4-5-13)17(12(19)2)18(22)15-7-6-14(21)10-16(15)19/h6-7,10,12-13,17,21H,3-5,8-9,11H2,1-2H3/t12-,17-,19-/m1/s1
InChI Key SEJUQQOPVAUETF-QHLBDZCJSA-N
References
1. Meng F, Xie GX, Thompson RC, Mansour A, Goldstein A, Watson SJ, Akil H. (1993)
Cloning and pharmacological characterization of a rat kappa opioid receptor.
Proc Natl Acad Sci USA, 90 (21): 9954-8. [PMID:8234341]
2. Yasuda K, Raynor K, Kong H, Breder CD, Takeda J, Reisine T, Bell GI. (1993)
Cloning and functional comparison of kappa and delta opioid receptors from mouse brain.
Proc Natl Acad Sci USA, 90 (14): 6736-40. [PMID:8393575]
3. Zhu J, Luo LY, Li JG, Chen C, Liu-Chen LY. (1997)
Activation of the cloned human kappa opioid receptor by agonists enhances [35S]GTPgammaS binding to membranes: determination of potencies and efficacies of ligands.
J Pharmacol Exp Ther, 282 (2): 676-84. [PMID:9262330]