CHEMBL4641271


SMILES CN(C)c1ccc(-c2cnc3c(c2)C[C@@]2(OCCCc4ccccc4)[C@H]4Cc5ccc(O)c6c5[C@@]2(CCN4CC2CC2)[C@H]3O6)cc1
InChIKey YXBNXFSNSLDHKY-BPSUTHQGSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 613.3

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 7.28 7.28 7.28 ChEMBL
κ OPRK Human Opioid A pKi 8.21 8.21 8.21 ChEMBL
μ OPRM Human Opioid A pKi 8.33 8.33 8.33 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pIC50 8.6 8.6 8.6 ChEMBL
μ OPRM Human Opioid A pEC50 8.68 8.68 8.68 ChEMBL