Skip to main content
. Author manuscript; available in PMC: 2014 Nov 27.
Published in final edited form as: J Med Chem. 2013 Nov 11;56(22):9251–9264. doi: 10.1021/jm401334s

Table 4.

Physiochemical Properties of Lead BrD Inhibitors against BRD4-BrD1

ID Compound Ki p Ki Ligand
Efficiency		 CLogP Lipophilic Ligand
Efficiency
27 MS436 <0.085 6.07 12.66 2.65 3.42
4 MS435 0.91 5.04 10.5 4.26 0.78
28 MS267 0.15 5.82 11.7 3.05 2.77
29 MS363 0.17 5.77 11.6 3.17 2.60

Note: Ligand efficiency (LE) and lipophilic ligand efficiency (LLE) were calculated using the following equations: LE = ∆Gbinding/number of heavy atoms; LLE = pKi – ClogP, respectively19.