CHEMBL5200050


SMILES CN(C(=O)c1ccccc1)[C@@H]1C[C@]23CCN(CC4CC4)[C@H](Cc4ccc(O)cc42)[C@]32CC[C@@H]1O2
InChIKey RQZDFNXWWDYUQI-IFJBLKETSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 458.3

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 7.63 7.63 7.63 ChEMBL
κ OPRK Human Opioid A pKi 9.59 9.59 9.59 ChEMBL
μ OPRM Human Opioid A pKi 8.85 8.85 8.85 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 9.77 9.77 9.77 ChEMBL
κ OPRK Human Opioid A pEC50 8.8 8.8 8.8 ChEMBL
μ OPRM Human Opioid A pEC50 8.33 8.33 8.33 ChEMBL