I've sent him a copy of the paper 'Design, Synthesis and Biological Evaluation of 3-Amino-3-phenylpropionamide Derivatives as Novel Opioid Receptor Ligands' Bioorganic & Medicinal Chemistry Letters 10 (2000) 523±526.
SMILES Oc1cc(ccc1)C(NC)C(C)(C)C(=O)NCCc2ccccc2
Anyone who inputs the SMILES and compares it with BDPC will get an interesting result. I know phenol derivatives of BDPC exist and were active but something about the p-Br or (Dan' thinks) that a p-Me will work.
μ Ki is 1.4
k Ki is 6.3
δ Ki is 176
The paper describes it as a μ Opioid receptor ligand.
An interesting compound. Obviously, the first thing you would look at is making the amine tertiary - with that in place it overlays the MDPC ligand. Interesting that while MDPC used a hydroxy as a hydrogen-bond acceptor, in this case, it's the O of the amide.
I cannot imagine anyone ever making this stuff but the MOST important features are the benzyl amine moiety. I can only think of Dr. Lednicers work and the obscure ciramadol. I remember seeing a paper in Reaxys in which the m-phenolic group of ciramadol was replaced by a p-Cl.
FREEDOM OF SPEECH
SMILES Oc1cc(ccc1)C(NC)C(C)(C)C(=O)NCCc2ccccc2
Anyone who inputs the SMILES and compares it with BDPC will get an interesting result. I know phenol derivatives of BDPC exist and were active but something about the p-Br or (Dan' thinks) that a p-Me will work.
μ Ki is 1.4
k Ki is 6.3
δ Ki is 176
The paper describes it as a μ Opioid receptor ligand.
An interesting compound. Obviously, the first thing you would look at is making the amine tertiary - with that in place it overlays the MDPC ligand. Interesting that while MDPC used a hydroxy as a hydrogen-bond acceptor, in this case, it's the O of the amide.
I cannot imagine anyone ever making this stuff but the MOST important features are the benzyl amine moiety. I can only think of Dr. Lednicers work and the obscure ciramadol. I remember seeing a paper in Reaxys in which the m-phenolic group of ciramadol was replaced by a p-Cl.
FREEDOM OF SPEECH
