1657028-64-2
1657028-64-2
Chemical Structure
AT-076
- CAS No.: 1657028-64-2
- Formula:C26H35N3O3
- Molecular Weight:437.57
IUPAC Name: (R)-7-hydroxy-N-((S)-1-(4-(3-hydroxyphenyl)piperidin-1-yl)-3-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
InChIKey: LGYDWJJZDCXEOV-JWQCQUIFSA-N
SMILES: OC1=CC=CC(C(CC2)CCN2C[C@H](C(C)C)NC([C@H]3CC4=CC=C(O)C=C4CN3)=O)=C1
Biological Activity: AT-076 is an opioid pan antagonist at nociception, kappa, mu, and delta opioid receptors, with Ki values of 1.75 nM (NOP), 1.67 nM (MOP), 1.14 nM (KOP) and 19.6 nM (DOP), respectively[1][2].
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AT-076 | AT-076 is an opioid pan antagonist at nociception, kappa, mu, and delta opioid receptors, with Ki values of 1.75 nM (NOP), 1.67 nM (MOP), 1.14 nM (KOP) and 19.6 nM (DOP), respectively. | |||||||||||||||||||||
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References
- [1]. Nurulain T Zaveri, et al. Discovery of the first small-molecule opioid pan antagonist with nanomolar affinity at mu, delta, kappa, and nociceptin opioid receptors. ACS Chem Neurosci. 2015 Apr 15;6(4):646-57. [Content Brief]
- [2]. V Blair Journigan, et al. Probing ligand recognition of the opioid pan antagonist AT-076 at nociceptin, kappa, mu, and delta opioid receptors through structure-activity relationships. Sci Rep. 2017 Oct 16;7(1):13255. [Content Brief]
Keywords
