CHEMBL4112656


SMILES COc1ccc2c3c1O[C@@H]1[C@]34CCN[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccccc1)C2
InChIKey FDYCYWQDIVTVDR-RHRQCQTHSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 447.2

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 6.47 6.47 6.47 ChEMBL
κ OPRK Human Opioid A pKi 10.1 10.1 10.1 ChEMBL
μ OPRM Human Opioid A pKi 7.68 7.68 7.68 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 6.75 6.75 6.75 ChEMBL
κ OPRK Human Opioid A pEC50 7.65 7.65 7.65 ChEMBL
μ OPRM Human Opioid A pEC50 6.86 6.86 6.86 ChEMBL