CHEMBL473362


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

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 5
Molecular weight (Da) 472.2

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
κ OPRK Guinea pig Opioid A pKi 7.89 8.79 9.7 ChEMBL
μ OPRM Rat Opioid A pKi 9.77 9.77 9.77 ChEMBL
δ OPRD Human Opioid A pKi 8.51 8.51 8.51 ChEMBL
κ OPRK Human Opioid A pKi 10.37 10.37 10.37 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Mouse Opioid A pIC50 8.25 8.25 8.25 ChEMBL
κ OPRK Guinea pig Opioid A pIC50 9.4 9.4 9.4 ChEMBL
μ OPRM Rat Opioid A pEC50 8.74 8.74 8.74 ChEMBL
κ OPRK Human Opioid A pEC50 9.92 9.92 9.92 ChEMBL