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


SMILES CC1CN(CCC1(C)C2=CC(=CC=C2)O)CCC(=O)N(CC3=CC(=CC=C3)Cl)C(CC4=CC=CC=C4)C(=O)O
InChIKey RMXKGIPQCLKWKR-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 10
Molecular weight (Da) 548.2

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 6.34 6.34 6.34 PDSP Ki database
μ OPRM Human Opioid A pKi 7.82 7.82 7.82 PDSP Ki database
δ OPRD Human Opioid A pKi 7.62 7.62 7.62 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database