Table 1.

Physicochemical and pharmacokinetic input parameters for cabotegravir.

Parameter	Cabotegravir	Reference
Molecular Weight (g/mol)	405.358	[36]
HBD	2	[36]
Log PO:W	1.04	[36]
pKa	10.04, −0.7	[36]
Protein Binding (%)	99.8	[37]
PSA (Å2)	99.18	[36]
R	0.5	[37]
Bioavailability (%)	20	[25]
CL/FIM,human (L/h)	0.197	[38]
Knp,IM,human (h−1)	4.54 × 10−4	[39]
PCSC/W	0.304 *	[26]
PCVE/W	0.106 **	[26]
PCDE/W	0.106 **	[26,40]
PCSC/VE	3.993 *	[26]
PCVE/DE	1 **	[40]

HBD—hydrogen bond donor, Log P_O:W—partition coefficient between octanol and water, pK_a—logarithmic value of the dissociation constant, PSA—polar surface area, R—blood-to-plasma ratio, CL/F_IM,human—IM apparent clearance in humans, K_np,IM,human—IM nanoparticle release rate in humans, PC_sc/w—permeability coefficient between the stratum corneum and water, PC_VE/W—permeability coefficient between the viable epidermis and water, PC_DE/W—partition coefficient between dermis and water, PC_SC/VE—partition coefficient between the stratum corneum and viable epidermis, PC_VE/DE—partition coefficient between viable epidermis and dermis, *—calculated using QSPR equations as described previously [26], **—viable epidermis and dermis assumed to have similar compositions.