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AT-076 , CAS No.A607788, Antagonist of δ receptor;Antagonist of κ receptor;Antagonist of μ receptor;Antagonist of NOP receptor
Basic Description Synonyms AT-076|NT43S9BKJ2|1657028-64-2|UNII-NT43S9BKJ2|(3R)-1,2,3,4-Tetrahydro-7-hydroxy-N-((1S)-1-((4-(3-hydroxyphenyl)-1-piperidinyl)methyl)-2-methylpropyl)-3-isoquinolinecarboxamide|3-Isoquinolinecarboxamide, 1,2,3,4-tetrahydro-7-hydroxy-N-((1S)-1-((4-(3-hydro Grade Moligand™ Action Type ANTAGONIST Mechanism of action Antagonist of δ receptor;Antagonist of κ receptor;Antagonist of μ receptor;Antagonist of NOP receptor
Names and Identifiers IUPAC Name (3R)-7-hydroxy-N-[(2S)-1-[4-(3-hydroxyphenyl)piperidin-1-yl]-3-methylbutan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide INCHI InChI=1S/C26H35N3O3/c1-17(2)25(16-29-10-8-18(9-11-29)19-4-3-5-22(30)12-19)28-26(32)24-14-20-6-7-23(31)13-21(20)15-27-24/h3-7,12-13,17-18,24-25,27,30-31H,8-11,14-16H2,1-2H3,(H,28,32)/t24-,25-/m1/s1 InChi Key LGYDWJJZDCXEOV-JWQCQUIFSA-N Canonical SMILES Oc1ccc2c(c1)CN[C@H](C2)C(=O)N[C@@H](C(C)C)CN1CCC(CC1)c1cccc(c1)O Isomeric SMILES CC(C)[C@@H](CN1CCC(CC1)C2=CC(=CC=C2)O)NC(=O)[C@H]3CC4=C(CN3)C=C(C=C4)O PubChem CID 91938095
References 1. Zaveri NT, Journigan VB, Polgar WE. (2015) Discovery of the first small-molecule opioid pan antagonist with nanomolar affinity at mu, delta, kappa, and nociceptin opioid receptors.. ACS Chem Neurosci, 6 (4): (646-57). [PMID:25635572 ]
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