(S)-2-(3-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl)-N-phenethylpropanamido)-3-phenylpropanoic acid


SMILES CC1CN(CCC1(C)C2=CC(=CC=C2)O)CCC(=O)N(CCC3=CC=CC=C3)C(CC4=CC=CC=C4)C(=O)O
InChIKey HLAFXCFCWUNESK-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 11
Molecular weight (Da) 528.3

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pKi 5.92 5.92 5.92 PDSP Ki database
μ OPRM Human Opioid A pKi 7.18 7.18 7.18 PDSP Ki database
δ OPRD Human Opioid A pKi 7.2 7.2 7.2 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database