CHEMBL4115222


SMILES CO[C@]12CC[C@@]3(C[C@@H]1COC(=O)[C@@H](N)Cc1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5
InChIKey WANLIISAKAJTRU-LZDVKRKESA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 8
Molecular weight (Da) 544.3

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
κ OPRK Human Opioid A pKi 10.15 10.15 10.15 ChEMBL
μ OPRM Human Opioid A pKi 9.72 9.72 9.72 ChEMBL
δ OPRD Human Opioid A pKi 8.91 8.91 8.91 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 8.69 8.69 8.69 ChEMBL
δ OPRD Human Opioid A pEC50 9.09 9.09 9.09 ChEMBL