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. Author manuscript; available in PMC: 2014 Jul 1.
Published in final edited form as: Bioorg Med Chem Lett. 2013 May 17;23(13):10.1016/j.bmcl.2013.05.020. doi: 10.1016/j.bmcl.2013.05.020

Table 5.

Protein binding results

Compd cLogPa mGlu1 IC50 (nM) LLEb Rat PPBc (Fu) Rat BHBc (Fu)
15 4.49 161 2.30 0.016 0.011
17 4.49 166 2.29 0.017 0.008
46 4.76 264 1.82 0.003 —
48 4.74 255 1.85 0.006 —
49 4.65 414 1.73 0.012 —
51 4.22 344 2.24 0.016 —
53 3.51 398 2.89 0.081 —
54 3.60 99 3.41 0.071 0.016
a

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

b

LLE (ligand-lipophilicity efficiency) = pIC50—cLogP.

c

Fu = fraction unbound.