CHEMBL3262093


SMILES CO[C@]12C=C[C@@]3(C[C@@H]1[C@H](O)c1ccccc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5
InChIKey KLULJLHFQXPFIW-QDVRVZIDSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 471.2

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 8.39 8.39 8.39 ChEMBL
δ OPRD Human Opioid A pKi 8.49 8.49 8.49 ChEMBL
κ OPRK Human Opioid A pKi 8.42 8.42 8.42 ChEMBL
μ OPRM Human Opioid A pKi 8.4 8.4 8.4 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 8.75 8.75 8.75 ChEMBL
κ OPRK Human Opioid A pEC50 8.68 8.68 8.68 ChEMBL
μ OPRM Human Opioid A pEC50 8.56 8.56 8.56 ChEMBL