CHEMBL4112771


SMILES COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](CN(Cc1ccccc1)C(C)=O)C2
InChIKey QERDWLFJAPHTPD-DPODCYPTSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 8
Molecular weight (Da) 542.3

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 6.41 6.41 6.41 ChEMBL
κ OPRK Human Opioid A pKi 9.85 9.85 9.85 ChEMBL
μ OPRM Human Opioid A pKi 7.93 7.93 7.93 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 6.89 6.89 6.89 ChEMBL
κ OPRK Human Opioid A pEC50 8.09 8.09 8.09 ChEMBL
μ OPRM Human Opioid A pEC50 7.66 7.66 7.66 ChEMBL