CHEMBL429677


SMILES COc1cc(CC(=O)N(C)[C@H](CN2CC[C@H](O)C2)c2ccccc2)c(S(=O)(=O)N2CCOCC2)cc1OC
InChIKey OYKLNAZLUWSWNL-XZOQPEGZSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 10
Molecular weight (Da) 547.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections


Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pKi 8.74 8.74 8.74 ChEMBL
κ OPRK Human Opioid A pKi 8.85 8.85 8.85 ChEMBL
μ OPRM Human Opioid A pKi 8.05 8.05 8.05 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 9.47 9.47 9.47 ChEMBL