Table 2.

Intravenous administration simulation parameters.

Parameter group	Parameter	Value			Source
Physicochemical and binding	Mol. weight (g/mol)	558.6			[http://www.drugbank.ca/]
	log⁡P	5.7			[http://www.drugbank.ca/]
	Compound type	Monoprotic Acid			[http://www.drugbank.ca/]
	pKa 1	4.330			[http://www.drugbank.ca/]
	B/P	0.610			[7]
	Fu	0.107			[8]
ADME	Enzymatic clearance
	Pathway	p-Hydroxy	o-Hydroxy	p-Hydroxy
	Enzyme	CYP3A4	CYP3A4	CYP2C8
	V max⁡	29.800	29.300	0.290	[9]
	K m	25.600	29.700	35.900
	fu mic	0.662	0.662	0.662
	Total plasma clearance-CL (Hep)	26.93 L/h			[Fitted to the clinical data]

log⁡P—logarithm of the octanol-water partition coefficient; pK_a—dissociation constant; B/P—blood-to-plasma partition coefficient; fu—fraction unbound in plasma; V _max⁡—maximum reaction rate achieved by the system; K _m—substrate concentration at which the reaction rate is half of V _max⁡.