A structure-permeability study of small drug-like molecules.
A systematic structure-permeability relationship study on a set of small drug-like molecules with log D values in the range -2.5 to 3 and carrying a diverse array of functionality reveals that the compounds with log D>0 and <3 are highly permeable. Surprisingly, several tetrazole derivatives were found to be substrates for efflux pump(s).
Fichert
Thomas
T
Department of Medicinal Chemistry, Boehringer Ingelheim Pharmaceuticals Inc., 900 Ridgebury Road, PO Box 368, Ridgefield, CT 06877, USA.
Yazdanian
Mehran
M
Proudfoot
John R
JR
D001562:Benzimidazoles / Q000737:chemistry / Q000493:pharmacokinetics; D002460:Cell Line; D002463:Cell Membrane Permeability; D006571:Heterocyclic Compounds / Q000737:chemistry* / Q000493:pharmacokinetics*; D006801:Humans; D007093:Imidazoles / Q000737:chemistry / Q000493:pharmacokinetics; D011743:Pyrimidines / Q000737:chemistry / Q000493:pharmacokinetics; D013329:Structure-Activity Relationship
D001562:Benzimidazoles; D006571:Heterocyclic Compounds; D007093:Imidazoles; D011743:Pyrimidines