CHEMBL470005


SMILES NC(=O)c1ccc2c(c1O)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CC1)CC3
InChIKey XMMYBZHHAZNWDZ-TYCQWZJGSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 3
Molecular weight (Da) 356.2

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 8.38 8.38 8.38 ChEMBL
κ OPRK Human Opioid A pKi 9.54 9.54 9.54 ChEMBL
μ OPRM Human Opioid A pKi 9.8 9.8 9.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pIC50 8.24 8.24 8.24 ChEMBL
κ OPRK Human Opioid A pEC50 8.64 8.64 8.64 ChEMBL
κ OPRK Human Opioid A pIC50 7.24 7.24 7.24 ChEMBL
μ OPRM Human Opioid A pEC50 8.0 8.0 8.0 ChEMBL
μ OPRM Human Opioid A pIC50 8.42 8.42 8.42 ChEMBL