Identify the functional groups Find H-bond donors and acceptors Identify any acidic or basic groups and...
Identify the functional groups Find H-bond donors and acceptors Identify any acidic or basic groups and draw the compound at various pHs using the pKa tables Calculate the solubility Identify potential molecular interactions that are possible when the drug binds to its target. If the pharmacophore for this drug includes the propanolamine and the aryl ring, propose an isosteric modification that will still produce an active drug. Simplify the drug, yet still produce an active drug Propose a modification that will reduce the number of rotamers of this drug, yet still produce an active drug Propose a modification that increases the water solubility of the drug, yet still be active when given (hard drug). Propose a modification that will convert the drug into a more lipophilic prodrug. Propose a modification that will convert the drug into a soft drug. Create a homologous series to explore the spatial relationship between the rings and the ether. Then do the same for the alcohol and the amine. Predict the major metabolites for this drug (both Phase I and Phase II) This molecule can also undergo N-dealkylation. Show the products for this conversion This Molecule can also undergo Oxidative-Demanimation reaction. Show the products for this conversion. Show the products if the drug undergoes a reduction reaction