. Author manuscript; available in PMC: 2014 Nov 1.

Published in final edited form as: Bioorg Med Chem Lett. 2013 Sep 10;23(21):10.1016/j.bmcl.2013.09.001. doi: 10.1016/j.bmcl.2013.09.001

Table 7.

CYP3A4 Inhibition and Brain Homogenate Binding

compound	cLogP^a	mGlu₅ IC₅₀ (nM)	CYP3A4 IC₅₀ (μM)^b	Mouse BHB (F_u)^c
24	1.43	24	22.3	0.082
25	1.89	11	2.2	0.025
28	2.44	33	6.2	0.080
64	2.53	10	< 0.1	0.057
65	2.99	14	1.9	0.019
66	2.59	18	4.3	0.052
77	3.65	25	1.3	0.007
78	3.80	7.5	0.7	0.003
79	3.22	27	1.7	0.016

Calculated using ADRIANA. Code (www.molecular-networks.com)

Inhibition of CYP3A4 assayed in pooled HLM+NADPH

BHB = brain homogenate binding; F_u = fraction unbound