Table 3.
MIC values, IC50 values, and physicochemical properties of interest for compounds elaborated at the slot-position
 |
||||||||
|---|---|---|---|---|---|---|---|---|
| -R |  |
 |
 |
 |
 |
 |
||
| Organisma | 1 | 4b | 4c | 4d | 4e | 4f | ||
| MIC (mg L−1) | A. baumannii | 128 | >256 | >256 | >256 | >256 | >128 | |
| E. coli | 32 | >256 | 256 | 8 | 8 | 32 | ||
| K. pneumoniae | 64 | >256 | 256 | 32 | >16 | >128 | ||
| P. aeruginosa | >256 | >256 | >256 | >256 | >256 | >128 | ||
| E. coli +PMBN | 0.5 | 2 | 4 | 0.5 | 0.25 | 1 | ||
| E. coli (ΔtolC)b | 0.5 | 0.5 | 2 | 0.12 | 0.06 | 0.25 | ||
| E. coli (ΔtolC) +PMBN | 0.12 | 0.25 | 0.5 | 0.06 | 0.03 | ≤0.06 | ||
| P. aeruginosa (ΔmexAB, etc.)c | 16 | >256 | 16 | 4 | 8 | 32 | ||
| fold- change | E. coli +/−PMBN | 64 | >128 | 64 | 16 | 32 | 32 | |
| E. coli +/−efflux | 64 | >512 | 128 | 64 | 128 | 128 | ||
| E. coli (ΔtolC) +/−PMBN | 4 | 2 | 4 | 2 | 2 | >4 | ||
| P. aeruginosa +/−efflux | >16 | - | >16 | >64 | >32 | >4 | ||
| IC50 P. aeruginosa BC (nM) | 180 | 79 | 130 | 36 | 32 | 93 | ||
| MW (g/mol) | 395 | 313 | 314 | 349 | 379 | 344 | ||
| pKad | 4.8 | (4.7) | (4.9) | (4.4) | (3.8) | (3.9) | ||
| clogD (pH 7.4) | 3.3 | 3.2 | 2.3 | 2.9 | 2.6 | 2.9 | ||
a
The strains of each bacterial species were as follows: A. baumannii (wild type) ATCC 19606; E. coli (wild type) DM4100; K. pneumoniae (wild type) ATCC 43816; P. aeruginosa (wild type) PAO1.
b
The E. coli ΔtolC strain contains a targeted knockout of the efflux pump component TolC.
c
The P. aeruginosa ΔmexAB, etc. strain contains targeted knockouts of efflux pumps MexAB-OprM, MexCD-OprJ, and MexEF-OprN, and the efflux pump components MexXY are expected to be compromised by the absence of OprM.
d
Calculated pKa values are in parentheses.