Table 1.

Rifampicin input parameters and characteristics for the developed PBPK model.

Parameters	Reported Values	Model Input Values	Reference
Physicochemical Properties
Molecular weight (g/mol)	822.9	822.9	[34]
LogPo:w	2.7	2.7	[34]
pKa1	1.7	1.7	[24]
pKa2	7.9	7.9	[24]
Compound type	Ampholyte
Absorption
Model	ADAM
Peff,man (cm/s)	2.15 × 10−4	2.4 × 10−4 a	[23]
Distribution
Model	Full PBPK
Prediction Method 2	Rodger and Rowland method
B/P ratio	0.52–0.90	0.67 a	[24,25]
f u	0.15	0.34 a	[24]
Vss (L/kg)	0.33–0.53	0.33	[23,24,25]
Elimination
CLiv (L/h)	7	7	[24]
CLR (L/h)	1.5	1.5	[25]

LogP_o:w: octanol-water partition coefficient, ADAM: advanced dissolution, absorption and metabolism, P_eff: human jejunum permeability, f_u: fraction of unbound drug in plasma, V_ss: volume of distribution at steady-state, CL_iv: intravenous clearance, CL_R: renal clearance. ^a manually optimized values based on visual predictive checks and sensitivity analysis.