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. 2015 Aug 19;6(10):1761–1766. doi: 10.1039/c5md00241a

Table 2. Enzyme affinity and cellular potency for inhibitors based on a phenyl scaffold.

Inline graphic
No. R clog P a LdNMT
 HsNMT K i (μM) Ld EC50 c (μM) Macrophage LD50 d (μM)
K i (μM) LE b
10a e H 3.4 0.06 0.37 1.24 >30 —
10b 3-OMe 3.2 4.02 0.26 7.23 — —
10c 3-Me 3.9 1.43 0.29 7.44 — —
10d 4-Me 3.9 5.18 0.26 4.64 — —
10e e 4-OMe 3.2 3.04 0.26 0.86 — —
10f e 4-Cl 4.0 0.36 0.32 0.45 — —
10g e 4-F 3.5 0.03 0.37 0.59 10.2 29.5
10h 4-Br 4.2 0.68 0.30 0.26 — —
10i 5-Me 3.9 0.24 0.32 0.76 — —
10j 5-Cl 4.0 0.02 0.38 0.07 6.7 18.0
10k 5-OMe 3.2 0.05 0.35 0.76 13.5 27.9
No. Structure clog P LdNMT
 HsNMT K i (μM) Ld EC50 (μM) Macrophage LD50 (μM)
K i (μM) LE
13 graphic file with name c5md00241a-u5.jpg 1.8 0.01 0.39 0.02 >50 >90

aclog P values calculated with ChemAxon.

bLE = [–log(Ki)] × 1.374/(no. of heavy atoms).

c Ex vivo L. donovani amastigotes.19

dLD50 is an indication of general toxicity of a compound.

eThis compound is described in Yu et al. 27