Table 1 Identity, physicochemical properties and IC50 (potency) and CC50 (toxicity) values for the different small molecule compounds of the hit series with confirmed inhibitory activity against C. albicans biofilms

From: A novel small molecule inhibitor of Candida albicans biofilm formation, filamentation and virulence with low potential for the development of resistance

NOVACore ID IUPAC name Formula MW Log P pKa tPSA IC 50 (μM) CC 50 (μM)
61894700 2-[(2-methylpyrimidin-5-yl)methyl]-7-{[4-(propan-2-yl)phenyl]methyl}-2,7-diazaspiro[4.5]decan-6-one C24H32N4O 392.537 3.45 8.66 49.33 2.70 104.10
80527891 7-{[4-(propan-2-yl)phenyl]methyl}-2-(thian-4-yl)-2,7-diazaspiro[4.5]decan-6-one C23H34N2OS 386.594 3.96 10.6 23.55 3.36 62.70
95143226 7-{[4-(propan-2-yl)phenyl]methyl}-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decane C24H33N3 363.539 4.21 9.64 19.37 4.59 81.42
17159859 2-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-7-{[4-(propan-2-yl)phenyl]methyl}-2,7-diazaspiro[4.5]decane C24H36N4 380.569 4.06 9.65 24.30 3.15 77.92
  1. Abbreviation: PSA, topological polar surface area.