2-((S)-2-benzyl-3-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl)propanamido)acetic acid


SMILES CC1CN(CCC1(C)C2=CC(=CC=C2)O)CC(CC3=CC=CC=C3)C(=O)NCC(=O)O
InChIKey UPNUIXSCZBYVBB-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 8
Molecular weight (Da) 424.2

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
μ OPRM Human Opioid A pKi 9.33 9.33 9.33 PDSP Ki database
δ OPRD Human Opioid A pKi 7.92 7.92 7.92 PDSP Ki database
κ OPRK Human Opioid A pKi 7.0 7.0 7.0 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database