CHEMBL188553


SMILES COC(=O)[C@@H]1C[C@H](OC(=O)C(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C
InChIKey SMRGWTOAIPPICP-AZKXBNKQSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 460.2

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 7.72 7.72 7.72 ChEMBL
μ OPRM Human Opioid A pKi 5.53 5.53 5.53 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 6.44 6.44 6.44 ChEMBL