. Author manuscript; available in PMC: 2015 Jan 15.

Published in final edited form as: Bioorg Med Chem Lett. 2013 Dec 4;24(2):630–635. doi: 10.1016/j.bmcl.2013.11.081

Table 3.

In vitro ADME properties of selected analogues of ML149 and ML148.

Compound	IC₅₀ (nM)^a	Permeability (10^-6 cm/s)^b	Kinetic solubility (μM)^c	RLM T_1/2 (min)^d
ML149	112	599	>45	n.d.
4a	22	1646	32	1.9
4b	34	1100	37	2.0
4f	48	1512	33	1.9
4h	34	1330	28	1.8
4i	76	229	>49	8.1
ML148	19	1196	>47	7.3
11d	68	2265	5.6	1.8
14c	12	895	>50	6.4
14e	48	1346	>55	4.4
14j	19	624	>50	23

represents the IC₅₀ against HPGD in the HTS enzymatic assay.

represents the PAMPA permeability at pH 7.4.

represents the kinetic aqueous solubility in PBS buffer (pH 7.4) as measured by UV quantification.

represents the T_1/2 in rat liver microsomes (RLM) in the presence of NADPH.