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
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
κ receptor Hs Agonist Full agonist 9.4 pKd - 3
pKd 9.4 [3]
κ receptor Rn Agonist Full agonist 8.8 pKi - 1
pKi 8.8 [1]
κ receptor Mm Agonist Full agonist 9.0 pIC50 - 2
pIC50 9.0 [2]
δ receptor Mm Agonist Full agonist 6.2 pIC50 - 2
pIC50 6.2 [2]