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. Author manuscript; available in PMC: 2024 Oct 13.
Published in final edited form as: ACS Infect Dis. 2023 Sep 11;9(10):1964–1980. doi: 10.1021/acsinfecdis.3c00245

Table 3.

N-Phenyl SAR: Physicochemical, In Vitro ADME, Antimalarial, and Cytotoxicity Data

graphic file with name nihms-1962359-t0012.jpg
Compd LogD7.4 PSA (Å2) Kinetic Sol6.5 (μg/mL) h/m CLint(μL/min/mg protein) P. falciparumIC50 (μM) L6 IC50 (μM)
17 2.1 55.4 50–100 23/440a 0.037 47
18 2.6 72.5 >50 100/910a,b 0.041 15
19 <0 86.3 >100 12/<7 160 220
20 0.8 89.3 >100 <7/10 24 >340
21 1.3 75.7 >100 11/15 7.8 >270
22 2.1 70.0 25–50 23/20c 0.70 160
23 1.6 80.3 >100 46/19 5.3 >300
24 2.2 46.2 >100 38/74c 0.056 110
25 3.0 46.2 25–50 240/79c 0.0094 9.0
26 3.1 55.4 6.3–12.5 240/110c 0.0042 44
27 3.3 46.2 6.3–12.5 190/71b 0.0042 2.8
28 2.5 46.2 50–100 17/58b 0.0070 86
29 1.2 59.1 >100 13/26 8.9 60
a

Rapid metabolic degradation, estimate only.

b

Apparent non-NADPH-mediated degradation detected.

c

Apparent non-NADPH-mediated degradation to form the lactam hydrolysis product.