CHEMBL365216


SMILES COC(=O)[C@@H]1C[C@H](OS(C)(=O)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C
InChIKey JPQCLBRBPPZECE-VOVNARLJSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 468.1

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 8.64 8.64 8.64 ChEMBL
μ OPRM Human Opioid A pKi 5.17 5.17 5.17 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 7.52 7.52 7.52 ChEMBL