CHEMBL4107627


SMILES COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COC(=O)[C@@H](N)Cc1ccccc1)C2
InChIKey PUYNPIWPDUYEQE-CZLNXFLDSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 558.3

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
δ OPRD Human Opioid A pKi 6.86 6.86 6.86 ChEMBL
κ OPRK Human Opioid A pKi 8.36 8.36 8.36 ChEMBL
μ OPRM Human Opioid A pKi 7.84 7.84 7.84 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 7.24 7.24 7.24 ChEMBL
κ OPRK Human Opioid A pEC50 7.08 7.08 7.08 ChEMBL