Skip to main content

Advertisement

Table 4 Physiochemical properties of potent, active and inactive compounds

From: Anti-malarial activity of a non-piperidine library of next-generation quinoline methanols

Parameter* Active Compounds with IC90s < 250 nM Active Compounds with IC90s < 540 ng/ml or 1000 nM Inactive Compounds (IC90s > 540 ng/ml or 1000 nM)
  Mean +/- STDEV (N) Mean +/- STDEV (N) Mean +/- STDEV (N)
MW 410 +/- 35 (25)**# 444 +/- 37 (66) 435 +/- 45 (107)
LogD 3.6 +/- 0.77 (24) 3.6 +/- 1.2 (66) 3.9 +/- 1.3 (106)
PSA 48 +/- 9.6 (25)** 57 +/- 18 (66)** 66 +/- 19 (106)
LogP 3.5 +/- 0.88 (25) 3.4 +/- 1.2 (66) 2.9 +/- 1.5 (106)
FRBs 6.3 +/- 1.7 (25) 6.5 +/- 1.7 (66)** 5.8 +/- 1.8 (106)
HBDs 1.8 +/- 0.55 (25) 1.8 +/- 0.8 (66) 2.0 +/- 0.98 (106)
HBAs 3.2 +/- 0.52 (25)**# 4.0 +/- 0.89 (66) 4.4 +/- 1.3 (106)
  1. * MW is molecular weight, PSA = polar surface area, FRBs = freely rotatable bonds, HBDs = H-bond donors, HBAs = H bond acceptors and LVs = Lipinski violations. Significant differences from inactive compounds or compounds with IC90s < 540 ng/ml/1000 nM# (one way ANOVA followed Bonferroni post-test, P < 0.05) are denoted by the symbols ** and # respectively.