DDM: Metrics

As a compound progresses through the drug discovery pipeline, what property is seen to increase?

• Hydrogen bond donor

• Hydrogen bond acceptor

• Lipophilicity

Polar contacts favour...

• enthalpy

• entropy

Ligand efficiency is the measurement of

• potency

• how well a compound binds in relation to its polar contacts

• how well a compound binds in relation to its size

• "magic methyls"

The equation for lipophilic ligand efficiency (LLE) is

• LLE = pIC50 - cLogP

• LLE = ΔG / HAC

• LLE = ΔG / HA

• LLE = 1.37 x pIC50

Increasing the number of aromatic rings has detrimental effects on

• hydrogen bond donor

• solubility

• cytochrome p450 inhibition

• chemical attractability