CHEMBL2113313


SMILES CO[C@@]12C=C[C@@]3([C@@H]4CN(C(=O)/C=C/c5ccccc5C)C[C@@H]41)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5
InChIKey KMRLAXVKJZMFFJ-LABJTRQFSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 510.3

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 8.63 8.63 8.63 ChEMBL
κ OPRK Human Opioid A pKi 9.28 9.28 9.28 ChEMBL
μ OPRM Human Opioid A pKi 9.66 9.66 9.66 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 8.4 8.4 8.4 ChEMBL
μ OPRM Human Opioid A pEC50 8.59 8.66 8.74 ChEMBL