Table 2.

PBPK model parameter values

Parameter	Symbol	Value
Docetaxel molecular weighta	MW	581.06 g/mol
Fraction of docetaxel unbound to plasma proteinsa	FU	0.07
Tissue volumes		% of body weight
Blooda	FV_bld	4.90
Braina	FV_brn	1.65
Hearta	FV_hrt	0.50
Lunga	FV_lng	0.73
Kidneya	FV_kid	1.67
Intestinea	FV_int	4.22
Livera	FV_liv	5.49
Slowly perfuseda	FV_sp	80.84
Tissue blood flows		% of cardiac output
Braina	FQ_brn	3.3
Hearta	FQ_hrt	6.6
Lunga	FQ_lng	100
Kidneya	FQ_kid	9.1
Intestinea	FQ_int	14.1
Livera	FQ_liv	2.0
Slowly perfuseda	FQ_sp	64.9
Partition coefficients		Ratio
Brain:plasmab	P_brn	58 (0.013)
Heart:plasmab	P_hrt	990 (0.231)
Lung:plasmab	P_lng	2,376 (0.546)
Kidney:plasmab	P_kid	995 (0.222)
FVB intestine:plasmab	P_int_fvb	195 (0.008)
KO intestine:plasmab	P_int_ko	397 (33.970)
Liver:plasmab	P_liv	7,088 (1.653)
Slowly perfused:plasmab	P_sp	748 (0.174)
Tubulin binding capacities		nmol/kg
Braina	TB_brn	10,710
Hearta	TB_hrt	1,970
Lunga	TB_lng	2,580
Kidneya	TB_kid	1,470
Intestinea	TB_int	1,080
Livera	TB_liv	3,510
Slowly perfusedb	TB_sp	521 (0.231)
Tubulin binding affinitya	KD	19 nM
Metabolism
First-order liver metabolism rate constantb	K_LMET	3,664 (1.444) h−1
First-order FVB intestine metabolism rate constantb	K_IMET_fvb	19 (0.008) h−1
Saturable KO intestine metabolism ${\mathrm{K}}_{\mathrm{m}}^{\mathrm{a}}$	KMM_int_ko	600 nmol/kg
Saturable KO intestine metabolism ${\mathrm{V}}_{\text{max}}^{\mathrm{a}}$	VMAXM_int_ko	2,654 nmol/h/kg
Glomerular filtration and tubular reabsorption
FVB fraction kidney blood flow filtered at glomerulusa	FGF_fvb	0.265
KO fraction kidney blood flow filtered at glomerulusa	FGF_ko	0.187
FVB tubular reabsorption rate constantb	K_RABS_fvb	0.02 (0.001) h−1
KO tubular reabsorption rate constantb	K_RABS_ko	1.8 (0.001) h−1
PGP transport
${\mathrm{K}}_{\mathrm{m}}^{\mathrm{b}}$	KMT	28 (0.007) nmol/kg
Brain ${\mathrm{V}}_{\text{max}}^{\mathrm{b}}$	VMAXT_brn	14,581 (3.232) nmol/h/kg
Heart ${\mathrm{V}}_{\text{max}}^{\mathrm{b}}$	VMAXT_hrt	14,599 (3.449) nmol/h/kg
Lung ${\mathrm{V}}_{\text{max}}^{\mathrm{b}}$	VMAXT_lng	340,176 (13.151) nmol/h/kg
Kidney ${\mathrm{V}}_{\text{max}}^{\mathrm{b}}$	VMAXT_kid	3,003 (0.012) nmol/h/kg
Slowly perfused ${\mathrm{V}}_{\text{max}}^{\mathrm{b}}$	VMAXT_sp	10 (0.002) nmol/h/kg

^aValues obtained from the literature

^bValues (SD) determined by parameter estimation