CHEMBL509552


SMILES O=C(/C=C/c1ccccc1)N[C@@H]1CC[C@@]2(OCc3ccccc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
InChIKey NBNXLAMYDYEUPQ-ZUXJCJRPSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 8
Molecular weight (Da) 562.3

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
μ OPRM Rat Opioid A pKi 9.8 9.8 9.8 ChEMBL
κ OPRK Human Opioid A pKi 9.07 9.07 9.07 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
μ OPRM Rat Opioid A pEC50 8.7 8.7 8.7 ChEMBL
κ OPRK Human Opioid A pEC50 9.11 9.11 9.11 ChEMBL