CHEMBL108608


SMILES COc1ccc2c(c1O)[C@]13CCN(C)C(C2)[C@@]12C/C(=C\c1ccccc1)[C@@H]3c1[nH]c3ccccc3c1C2
InChIKey JLMRSZXETXDEJC-JAFNVPGYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 2
Molecular weight (Da) 488.2

Drug properties

Molecular type Small molecule
Physiological/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 7.8 7.8 7.8 ChEMBL
κ OPRK Human Opioid A pKi 7.46 7.46 7.46 ChEMBL
μ OPRM Human Opioid A pKi 8.2 8.2 8.2 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 7.37 7.37 7.37 ChEMBL
κ OPRK Human Opioid A pEC50 6.49 6.49 6.49 ChEMBL
μ OPRM Human Opioid A pEC50 7.35 7.35 7.35 ChEMBL