zarrin77
Member
"...Nicotinamide 4 had modest potency (IC50 = 350 nM) and was suprisingly unbound (rat plasma protein binding (PPB), 13.2% free) given the measured log D7.4 (3.2). Ligand efficiency was high as measured per heavy atom count (0.46) and moderate as measured by ligand lipophilicity efficiency30 (LLE = pIC50 − logD = 3.3). Sulfonamide 5 was more potent (IC50 = 200 nM) although less impressive in terms of ligand efficiency per heavy atom count (0.33) or ligand lipophilicity efficiency (2.8). The permeability of both was high as measured in a CACO-2 assay with no evidence of efflux."
Just have to point out that when they say “Nicotinamide 4 had modest potency (IC50 = 350 nM)....”, they are not acutally using niacinamide, but actually “compound 4” that they were tesing in the study (image below). They did not test niacinamide in this study.