Table 6SAR analysis for selective κ–opioid receptor antagonist for the tricyclic lactam scaffold

SAR Analysis for KOR Selective Scaffolds (Medicinal Chemistry & Cheminformatics Analysis)
Image ml190t6header.jpg
Potency (μM)
Ave. ± S.E.M. (stdv/sqrt (n))
(n = replicates)

n value in column refers to KOR DRx replicates
#CIDSIDBurnham MLS #*R1R2nTargetAntitargetTarget to Antitarget HCS Selectivity (KOR:MOR:DOR
KOR
DRx
KOR
HCS (n=2)a
MOR
HCS (n=2)
DOR
HCS (n=2)
122553408875444730435701PH
Image ml190t6r1.jpg
4>20>32>32>32NA
222553432875444740435702PH
Image ml190t6r2.jpg
4>20>32>32>32NA
322553433875444750435703PH
Image ml190t6r3.jpg
4>20>32>32>32NA
422553447875444770435704PH
Image ml190t6r4.jpg
44.781.31>32>321:>24:>24
522553448875444780435705PH
Image ml190t6r5.jpg
4>2021.5>32>321:>1.5:>1.5
622553452875444790435706PH
Image ml190t6r6.jpg
4>20>323.98>32NA
722553453875444800435707PH
Image ml190t6r7.jpg
4>20>326.33>32NA
845479166935756850437215SMe
Image ml190t6r8.jpg
414.1>32>32>32NA
945479168935756860437216SMe
Image ml190t6r9.jpg
81.250.005 (n=4)>32>321:>6,400:>6,400
*

S = Synthesized P = purchased

ND = not determined

a

unless otherwise noted

S = Synthesized P = purchased

unless otherwise noted

From: Antagonist for the Kappa Opioid Receptor

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Probe Reports from the NIH Molecular Libraries Program [Internet].

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