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)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Database Links Click here for help
Specialist databases
GPCRdb Ligand PN6047
Other databases
GtoPdb PubChem SID 404859122
PubChem CID 121430051
Search Google for chemical match using the InChIKey ACDBSKNTCSNAAV-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ACDBSKNTCSNAAV
UniChem Compound Search for chemical match using the InChIKey ACDBSKNTCSNAAV-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey ACDBSKNTCSNAAV-UHFFFAOYSA-N