Table 5Summary of in vitro ADME/T Properties of Cardioprotectants ML330 and ML331

ADME/T Assay Panel ComponentML330
CID 60202221
ML331
CID 60202247
Aqueous Solubility in pION’s buffer (μg/mL) [μM]a
pH 5.0/6.2/7.4
0.22/0.32/0.10
[0.41/0.59/0.18]
9.2/10.1/8.9
[19.7/21.6/19.0]
Aqueous Solubility in 1× PBS, pH 7.4 (μg/mL) [μM]a0.25 [0.46]7.5 [16.0]
PAMPA Permeability, Pe (×10−6 cm/s)
Donor pH: 5.0/6.2/7.4 Acceptor pH: 7.4
106/107/237470/409/114
Plasma Protein Binding (% Bound)Human 1 μM/10 μM99.58/99.3799.47/99.41
Mouse 1 μM/10 μM99.16/99.14ND
Plasma Stability (%Remaining at 3 hrs) Human/Mouse96.4/0.0580.03/71.91
Hepatic Microsome Stability (% Remaining at 1hr) Human/Mouse3.91/1.564.60/0.24
Toxicity Towards Fa2N-4 Immortalized Human Hepatocytes LC50 (μM)>50>50
a

Solubility also expressed in molar units (μM) as indicated in italicized [bracketed values], in addition to more traditional μg/mL units.

From: Cardioprotective inhibitors of reperfusion injury

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

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