Target Potency Energetics of Binding

Typically, the primary focus for improvement in HtL is the target potency. As mentioned above, many other parameters come into the decision-making criteria, but quite often a specific target-based potency is selected as an initial 

Diclofensine (lit values) rNET ICbo = 0-7 nM rDAT ICbo = 2.3 nM rSERT IC50 = 3.7 nM 

Nominfensine (lit values) rNET ICso = 6-6 nM rDAT IC50 = 48 nM rSERT ICso = 830 nM 

Other promiscuous pharmacophores cited by Peters are the kinase pharmacophores. This may be particularly difficult to avoid as hits, since many corporate collections are populated with kinase inhibitor scaffolds due to large number of programs and ease of synthesis. However, given the vast 

Target class Number of entries Starting compound median MW (mean) A MW median (mean) Starting compound median clogP (mean) A clogP median (mean) 

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