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. Author manuscript; available in PMC: 2012 Aug 17.
Published in final edited form as: ACS Chem Neurosci. 2011 Aug 17;2(8):411–432. doi: 10.1021/cn2000266

Table 1.

mGlu5 potency and rat brain penetration SAR in 1,2,4-triazole series

graphic file with name nihms-291053-t0001.jpg

Entry Series R1 X Y R2 R3 mGlu5 IC50 (nM) Rat B/P Ratio
1 I Cl CHMe (R) O Me A (Z = CH) 8 0.03
2 III Cl CHMe (R) O Me A (Z = CH) 6 0.01
3 III Cl CHMe (R) O Me A (Z = N) 5 0.075
4 II Cl C=O NMe Me B 37 0.26
5 II Cl C=O NMe Me C (Z = N; R4 = H) 62 0.19
6 II Cl CH2 NMe Et C (Z = N; R4 = H) 13 <0.01
7 II Me CH2 NEt Me C (Z = N; R4 = H) 45 0.01
8 II Cl CH2 NEt Me C (Z = CH; R4 = Me) 65 <0.01
9 II Me CH2 NEt Me C (Z = CH; R4 = Me) 112 0.22
10 II Cl CH2 NMe Me D 20 0.16
11 I Me CH2 NEt Me C (Z = CH; R4 = Me) 75 <0.01