Table 4 In Silico Pharmacokinetic properties.
From: New benzimidazole-triazole glycoconjugates as anti-cancer agents and EGFR inhibitors
No. | MW (g/mol) | #H-bond acceptor | #H-bond donors | TPSA | ESOL* Class | P-gp substrate | BBB permeant | CYP3A4 inhibitor |
|---|---|---|---|---|---|---|---|---|
8a | 403.39 | 9 | 4 | 155.75 | Very soluble | No | No | No |
8b | 373.36 | 8 | 3 | 135.52 | Very soluble | No | No | No |
9a | 509.49 | 10 | 4 | 155.75 | Soluble | No | No | No |
9b | 479.46 | 9 | 3 | 135.52 | Soluble | No | No | No |
10a | 565.55 | 11 | 4 | 171.35 | Soluble | No | No | Yes |
10b | 535.53 | 10 | 3 | 151.12 | Soluble | No | No | Yes |
Erlotinib | 393.44 | 6 | 1 | 74.73 | Moderately soluble | No | Yes | Yes |
Doxorubicin | 543.52 | 12 | 6 | 206.07 | Soluble | Yes | No | No |
