CHEMBL109040


SMILES COc1ccc2c(c1O)[C@]13CCN(C)C(C2)[C@]12CCC(=O)[C@H]3/C(=C/c1ccccc1)C2
InChIKey RNXZIQREMYDCBE-YOCRKOMBSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 2
Molecular weight (Da) 415.2

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 8.26 8.26 8.26 ChEMBL
κ OPRK Human Opioid A pKi 9.7 9.7 9.7 ChEMBL
μ OPRM Human Opioid A pKi 9.37 9.37 9.37 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 8.38 8.38 8.38 ChEMBL
κ OPRK Human Opioid A pEC50 7.76 7.76 7.76 ChEMBL
μ OPRM Human Opioid A pEC50 8.17 8.17 8.17 ChEMBL