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. Author manuscript; available in PMC: 2018 Mar 15.
Published in final edited form as: ACS Chem Neurosci. 2016 Nov 23;8(3):486–500. doi: 10.1021/acschemneuro.6b00221

Table 1.

Structure–Activity Relationship Profiles of SK609 and Its Analogues along with Their Docking Scores at D3R

graphic file with name nihms914178u2.jpg
Name R1 R2 Hybrid docking score
SK609a o-Cl graphic file with name nihms914178t1.jpg 76.8
SK609-R o-Cl graphic file with name nihms914178t2.jpg 40.3
SK609-S o-Cl graphic file with name nihms914178t3.jpg 81
SK611 p-OCH3 graphic file with name nihms914178t1.jpg 57.2
SK610 p-F graphic file with name nihms914178t1.jpg 72.6
SK608 p-Cl graphic file with name nihms914178t1.jpg 83
SK213 o-Cl graphic file with name nihms914178t4.jpg 73.7
SK220 o-OH graphic file with name nihms914178t5.jpg 56.2
SK052 o-I graphic file with name nihms914178t1.jpg 65
SK058 o-F graphic file with name nihms914178t1.jpg 75.9
SK232 o-Cl graphic file with name nihms914178t6.jpg 78
SK182 o-OH graphic file with name nihms914178t1.jpg 54.8
SK032 o-Br graphic file with name nihms914178t1.jpg 64.4
SK041 o-OCH3 graphic file with name nihms914178t1.jpg 62
L1 p-F graphic file with name nihms914178t7.jpg 28
L2 p-F graphic file with name nihms914178t8.jpg 48
a

SK603 (4-(fluran-2-yl)butan-2-amine) was structurally similar to SK609 but had a furan ring instead of an ortho chlorophenyl ring. The hybrid docking score was 64.8.