CHEMBL4108301


SMILES COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](CSc1nncs1)C2
InChIKey CEBOEHUQMKNZOK-KOEYQPMUSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 0
Rotatable bonds 7
Molecular weight (Da) 511.2

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 5.76 5.76 5.76 ChEMBL
κ OPRK Human Opioid A pKi 8.61 8.61 8.61 ChEMBL
μ OPRM Human Opioid A pKi 6.72 6.72 6.72 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 6.72 6.72 6.72 ChEMBL