ethylketocyclazocine   Click here for help

GtoPdb Ligand ID: 1602

Abbreviated name: (-)-EKC
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 3.24
No. Lipinski's rules broken 0
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Canonical SMILES CCC1CN(CC2CC2)C2C(C1c1cc(O)ccc1C2=O)C
Isomeric SMILES CCC1CN(CC2CC2)C2C(C1c1cc(O)ccc1C2=O)C
InChI InChI=1S/C19H25NO2/c1-3-13-10-20(9-12-4-5-12)18-11(2)17(13)16-8-14(21)6-7-15(16)19(18)22/h6-8,11-13,17-18,21H,3-5,9-10H2,1-2H3
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
κ receptor Hs Agonist Full agonist 10.0 pKi - 1
pKi 10.0 [1]
μ receptor Hs Agonist Full agonist 9.5 pKi - 1
pKi 9.5 [1]
δ receptor Hs Agonist Full agonist 8.5 pKi - 1
pKi 8.5 (Ki 3.16x10-9 M) [1]