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. Author manuscript; available in PMC: 2024 Feb 23.
Published in final edited form as: J Med Chem. 2023 Jan 23;66(4):2979–3009. doi: 10.1021/acs.jmedchem.2c01996

Table 2.

IC50 values of C1-C8 against Human sEH(HsEH) and Murine sEH (MsEH)a.

graphic file with name nihms-1870314-t0011.jpg
Compd. R HsEH (nM) MsEH (nM) cLogPb LLEc
C1 graphic file with name nihms-1870314-t0012.jpg 183 2.0 4.466 2.272
C2 graphic file with name nihms-1870314-t0013.jpg 16 0.53 4.141 3.655
C3 graphic file with name nihms-1870314-t0014.jpg 0.8 0.18 2.997 6.100
C4 graphic file with name nihms-1870314-t0015.jpg 1.54 0.44 3.374 5.438
C5 graphic file with name nihms-1870314-t0016.jpg 2.94 0.23 2.663 5.869
C6 graphic file with name nihms-1870314-t0017.jpg 0.84 0.35 3.330 5.746
C7 graphic file with name nihms-1870314-t0018.jpg 0.91 0.55 2.486 6.555
C8 graphic file with name nihms-1870314-t0019.jpg 0.35 0.12 1.803 7.653
A - 4.6 1.3 3.358 4.979
t-TUCB - 0.28 2.8 5.489 4.064
a

IC50 values were recorded on recombinant human sEH (HsEH) and murine sEH (MsEH) using PHOME as substrate at 50 mM concentration.

b

The cLogP values were predicted by BIOVIA Discovery Studio 2016.

c

Ligand lipophilicity efficiency (LLE) = pIC50-cLogP.