Table 4.

Absorption and distribution (pkCSM).

		Absorption							Distribution
S/N	Comp Code	Water Solubility	Caco2 Perm	Intestine Abs	Skin Perm.	P-GPS	P-GP1I	P-GP2I	VDss	FU	BBB Perm.	CNS Perm.
1	HPS/001	−4.788	−0.162	60.891	−2.735	Yes	Yes	Yes	−0.362	0	−1.011	−3.069
2	HPS/002	−4.625	0.271	61.515	−2.735	Yes	Yes	Yes	−0.399	−0.399	−0.712	−3.11
3	HPS/003	−4.741	−0.246	71.033	−2.735	Yes	Yes	Yes	−0.31	0.019	−1.35	−3.154
4	HPS/004	−4.625	0.271	61.515	61.515	Yes	Yes	Yes	−0.399	0.012	−0.712	−3.11
5	Lopinavir	−2.892	1.497	76.395	−2.735	No	No	No	0.011	0.381	−1.525	−1.418
6	HPS/005	−3.84	0.216	70.919	−2.735	Yes	Yes	Yes	0.702	0	−1.76	−3.362
7	HPS/006	−4.11	0.737	71.415	−2.735	Yes	Yes	Yes	0.302	0.048	−1.844	−3.642
8	HPS/007	−3.209	0.464	69.849	−2.735	Yes	Yes	Yes	1.105	1.105	−1.789	−3.895
9	HPS/008	−4.232	0.561	79.662	−2.735	Yes	Yes	Yes	0.273	0	−1.678	−3.23
10	Ritonavir	−3.358	0.377	69.45	−2.735	Yes	Yes	Yes	0.429	0	−1.665	−3.295
11	HPS/009	−3.315	0.356	66.625	−2.741	Yes	Yes	No	0.639	0.093	−1.081	−3.461
12	HPS/010	−3.312	0.354	65.884	−2.742	Yes	Yes	No	0.552	0.079	−1.018	−3.473
13	HPS/011	−3.312	0.354	65.884	−2.742	Yes	Yes	No	0.552	0.079	−1.018	−3.473
14	HPS/012	−3.499	0.484	71.755	−2.74	Yes	Yes	No	0.603	0.03	−0.974	−3.413
15	Fosamprenavir	−3.239	0.201	76.433	−2.735	Yes	Yes	No	0.228	0.12	−1.816	−4.025
16	HPS/013	−3.631	0.467	81.852	−2.746	Yes	Yes	No	0.569	0.012	−0.919	−2.991
17	HPS/014	−3.631	0.467	81.852	−2.746	Yes	Yes	No	0.569	0.012	−0.919	−2.991
18	HPS/015	−3.494	−0.099	65.218	−2.735	Yes	No	No	−0.556	0.089	−1.022	−3.197
19	HPS/016	−4.52	0.613	73.02	−2.812	Yes	Yes	No	0.127	0	−1.033	−3.333
20	Amprenavir	−3.312	0.354	65.884	−2.742	Yes	Yes	No	0.552	0.079	−1.018	−3.473
21	HPS/017	−3.028	0.394	74.785	−2.755	Yes	Yes	Yes	1.614	0.361	−0.792	−2.976
22	HPS/018	−3.511	−0.247	63.672	−2.735	Yes	Yes	Yes	0.325	0.107	−1.222	−3.158
23	HPS/019	−3.278	−0.116	46.777	−2.735	Yes	No	Yes	0.143	0.222	−0.925	−2.715
24	HPS/020	−4.316	0.288	60.286	−2.741	Yes	Yes	Yes	0.053	0.05	−0.964	−3.071
25	Atazanavir	−3.849	0.294	45.728	−2.735	Yes	Yes	Yes	0.143	0.03	−1.352	−3.224
26	HPS/021	−3.381	0.457	80.889	−2.725	Yes	Yes	No	0.776	0.046	−1.076	−3.474
27	HPS/022	−3.796	0.358	82.453	−2.735	Yes	Yes	Yes	0.208	0	−1.115	−3.273
28	HPS/023	−3.401	0.51	79.453	−2.738	Yes	Yes	Yes	0.148	0.242	−1.15	−3.47
29	HPS/024	−3.289	−3.289	49.063	−2.735	Yes	No	No	0.06	0.164	−0.921	−3.656
30	Darunavir	−3.348	0.493	75.477	−2.739	Yes	Yes	No	−2.739	0.055	−1.111	−3.519
31	HPS/025	−4.568	0.777	69.402	−2.73	Yes	Yes	Yes	0.129	0.052	−0.935	−2.849
32	HPS/026	−3.711	0.265	66.903	−2.735	Yes	Yes	Yes	0.31	0.139	−1.099	−2.911
33	HPS/027	−3.711	0.265	66.903	−2.735	Yes	Yes	Yes	0.31	0.139	−1.099	−2.911
34	HPS/028	−3.107	0.575	70.605	−2.735	Yes	Yes	Yes	0.831	0.294	−0.77	−2.498
35	Nelfinavir	−3.894	0.693	70.888	−2.737	Yes	Yes	Yes	0.563	0.094	−0.522	−2.245

Caco2 perm.—Caco2 permeability (log Papp in 10⁻⁶ cm/s); IA(H)—Intestinal absorption (human); Skin perm—Skin Permeability (log Kp); P-GPS—P-glycoprotein substrate; P-GP1I—P-glycoprotein I inhibitor; P-GP2I—P-glycoprotein II inhibitor; VDss—Volume of distribution at steady state (human) (Log L/kg); FU—Fraction unbound (human) (Fu); BBB perm.—BBB permeability (log BB); CNS perm.—CNS permeability (log PS).