A CoMFA investigation of sigma receptor binding affinity: Reexamination of a spurious sigma ligand

Article abstract of DOI:10.1016/S0223-5234(98)80021-4

A comparative molecular feld analysis (CoMFA) investigation was conducted on the binding of 64 compounds to σ₁ receptors. Although CoMFA accurately predicted the binding affinities of the 64 compounds in the final set (R² = 0.989), it was unable to predict the high affinity of the previously reported bridged σ ligand SC-50691. SC-50691, and its endo and exo isomers were synthesized and found to bind with much lower affinity than was previously reported.