PN6047   Click here for help

GtoPdb Ligand ID: 10675

Compound class: Synthetic organic
Comment: A G protein-biased and selective δ opioid agonist. In cell-based assays, PN6047 fully engages G protein signaling but is a partial agonist in both the arrestin recruitment and internalization assays.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 107.77
Molecular weight 460.19
XLogP 2.42
No. Lipinski's rules broken 0
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Canonical SMILES NC(=O)c1cccc(c1)C(=C1CCN(CC1)Cc1scnc1)c1ccc(cc1)C(=O)N(C)C
Isomeric SMILES NC(=O)c1cccc(c1)C(=C1CCN(CC1)Cc1scnc1)c1ccc(cc1)C(=O)N(C)C
InChI InChI=1S/C26H28N4O2S/c1-29(2)26(32)20-8-6-18(7-9-20)24(21-4-3-5-22(14-21)25(27)31)19-10-12-30(13-11-19)16-23-15-28-17-33-23/h3-9,14-15,17H,10-13,16H2,1-2H3,(H2,27,31)
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
δ receptor Hs Agonist Biased agonist 7.3 pKi - 1
pKi 7.3 [1]