. Author manuscript; available in PMC: 2021 Jun 1.

Published in final edited form as: Med Chem Res. 2020 Apr 19;29(6):962–978. doi: 10.1007/s00044-020-02537-0

Table 1.

In vitro H4/PARP1 inhibitory activity, maximum kinetic aqueous solubility and mouse and human liver microsomal stability of compounds 1–9.


Cd #	R	logP	H4/PARP Inhibition IC₅₀, nM	Liver Microsomal Stability (t1/2, min)				Max. Aq. Solubility (uM)
				Mouse		Human
				+ NADPH	- NADPH^*	+ NADPH^*	- NADPH^*
1		5.11	104	4.9	92%	3.4	88%	177
2		4.66	52.4	3.8	98%	< 2	92%	125
3		5.56	54	1.8	87%	< 2	95%	140
4		5.52	45.6	2.6	84%	< 2	92%	95
5		3.65	34.5	5.1	100%	< 2	87%	200
6		4.32	156	4	88%	< 2	85%	110
7		3.34	466	13.3	100	4	100	185
8		5.08	55.8	4.1	100	< 2	83	200
9		6.79	61.8	5	100	< 2	87	113

Percent compound remaining after 1 hour @ 37°C.