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Table 5 In silico pharmacokinetics prediction of sulfonamides

From: Design, synthesis, ADME prediction and pharmacological evaluation of novel benzimidazole-1,2,3-triazole-sulfonamide hybrids as antimicrobial and antiproliferative agents

Compd. no In silico pharmacokinetics
GI absorption BBB permeant P-gp CYP1A2 inhibitor CYP2D6 inhibitor Log Kp (skin permeation), cm/s
4a Low No Yes No No − 7.01
4b Low No Yes No No − 7.42
4c Low No Yes Yes No − 6.95
4d Low No No No No − 6.91
4e Low No No No No − 6.85
4f Low No No No No − 7.81
6a Low No Yes No No − 8.43
6b Low No Yes No No − 9.23
6c Low No Yes No No − 8.29
6d Low No Yes No No − 8.22
6e Low No Yes No No − 8.11
6f Low No No No No − 10.03
Cipro. High No Yes No No − 9.09
Fluco. High No No No No − 7.92
  1. GI, gastro intestinal; P-gp, P-glycoprotein; BBB, blood brain barrier; CYP1A2, cytochrome P450 family 1 subfamily A member 2 (PDB: 2HI4); CYP2D6, cytochrome P450 family 2 subfamily D member 6 (PDB: 5TFT)