Name: AT-076
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212712056
Cas No:1657028-64-2
常用名:AT-076
别名:AT 076
IUPAC:(3R)-7-hydroxy-N-[(2S)-1-[4-(3-hydroxyphenyl)piperidin-1-yl]-3-methylbutan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
IUPAC:(3R)-7-hydroxy-N-[(2S)-1-[4-(3-hydroxyphenyl)piperidin-1-yl]-3-methylbutan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
InChI key:LGYDWJJZDCXEOV-JWQCQUIFSA-N

分子式:C26H35N3O3
分子量:437.584
氢键供体数 (HBD):4
氢键受体数 (HBA):5
LogP:3.2350595
SMILES:CC(C)[C@@H](CN1CCC(CC1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1
SMILES:CC(C)[C@@H](CN1CCC(CC1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1

AT-076 is a noncompetitive antagonist of the κ-opioid receptor (Ki = 1.14 nM) and nociceptin receptor (Ki = 1.75 nM) and a competitive antagonist of the μ-opioid receptor (Ki = 1.67 nM) and δ-opioid receptor (Ki = 19.6 nM).

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