Table 7Summary of in vitro ADME properties of ML333

Aqueous Solubilitya

(μg/mL, μM)
Assay Media Solubilityb

(μg/mL, μM)
PAMPA Pec

(x10−6 cm/s @ Donor pH)
Plasma Protein Binding (% Bound)Plasma Stabilityd

Human Mouse/1:1 Plasma:PBS
Hepatic Microsome Stabilitye

Human/Mouse
Hepatic Toxicityf

LC50 (μM)
Human

1μM/10μM
Mouse

1μM/10μM
104/407>126/>66235 @ 5.0
183 @ 6.2
230 @ 7.4
88.99/86.1282.79/74.81100/86.957.9/14.6>50
a

in 1× PBS, pH 7.4

b

in Luria-Bertani broth (10g tryptone, 5g yeast extract, 10g NaCl)

c

in aqueous buffer (pION),; Donor compartment pH 5.0/6.2/7.4; Acceptor compartment pH 7.4 @ RT

d

% remaining at 3 hr @ 37°C

e

% remaining at 1 hr @ 37°C

f

towards Fa2N-4 immortalized human hepatocytes

in 1× PBS, pH 7.4

in Luria-Bertani broth (10g tryptone, 5g yeast extract, 10g NaCl)

in aqueous buffer (pION),; Donor compartment pH 5.0/6.2/7.4; Acceptor compartment pH 7.4 @ RT

% remaining at 3 hr @ 37°C

% remaining at 1 hr @ 37°C

towards Fa2N-4 immortalized human hepatocytes

From: N-(pyridin-4-yl)benzo[d]thiazole-6-carboxamide inhibits E. coli UT189 bacterial capsule biogenesis

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Probe Reports from the NIH Molecular Libraries Program [Internet].

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