CHEMBL4113804


SMILES COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COc1ccc(-n3ccnc3)cc1)C2
InChIKey RLFBLDXDGTVVAF-KKASODRESA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 8
Molecular weight (Da) 553.3

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 6.68 6.68 6.68 ChEMBL
κ OPRK Human Opioid A pKi 7.5 7.5 7.5 ChEMBL
μ OPRM Human Opioid A pKi 7.8 7.8 7.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 5.25 5.25 5.25 ChEMBL
κ OPRK Human Opioid A pEC50 5.26 5.26 5.26 ChEMBL