Table 7Summary of in vitro ADMET/PK Properties of GP55 Agonist Probe(s)

Probe CID
Probe ML#
BCCG MLS-#
Aqueous Solubility (μg/mL)a (@ pH)

(1×PBS 7.4)
PAMPA Pe (×10−6 cm/s)b (@ pH)Plasma Protein Binding (% Bound)Plasma Stabilityc
Human/Mouse 1× PBS, pH 7.4
Hepatic Microsome Stabilityd
Human/Mouse

NADPH minus
Hepatic Toxicitye
LC50 (μM)
Human
1μM/10μM
Mouse
1μM/10μM
CID1261822
ML193
MLS-0269911
1.8 (5.0)
4.3 (6.2)
32.8 (7.4)
14.8 (PBS)
9.5 (5.0)
124(6.2)
135(7.4)
99.88/ 99.9299.78/ 99.6289.54/90.13
3.44/2.41
11.77
62.11/51.81
58.12/49.89
26.9
CID1434953
ML192
MLS-0083944
11.1 (5.0)
14.2 (6.2)
16.9 (7.4)
8.3 (PBS)
1347 (5.0)
1230 (6.2)
1215 (7.4)
99.53/ 99.5198.65/ 98.4496.85/98.08
62.76/58.26
45.57
0.02/0.06
42.54/7.17
>50
CID23612552
ML191
MLS-0368126
4.5 (5.0)
5.0 (6.2)
6.4 (7.4)
1.0 (PBS)
1910 (5.0)
2113 (6.2)
2349 (7.4)
99.50/ 99.8498.70/ 98.41100/100
42.43/51.15
24.75
0.99/0.03>50
a

in aqueous buffer (phosphate-free), pH’s 5.0/6.2/7.4 or 1×PBS pH7.4

b

in aqueous buffer (phosphate-free); Donor compartment pH’s 5.0/6.2/7.4; Acceptor compartment pH 7.4

c

% remaining at 3 hr; in Plasma:1× PBS, pH 7.4, 1:1 @ 37 °C; % remaining at 32 hrs in 1× PBS

d

% remaining at 1 hr

e

towards Fa2N-4 immortalized human hepatocytes

*

Negative value obtained (less compound in the plasma donor chamber); indicative of significant plasma instability

From: Screening for Selective Ligands for GPR55 - Antagonists

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

NCBI Bookshelf. A service of the National Library of Medicine, National Institutes of Health.