CHEMBL4546925


SMILES CC[C@@H]1CN2CCc3c([nH]c4cccc(OC)c34)[C@H]2C[C@@H]1/C(=C\OC)C(=O)OC
InChIKey LELBFTMXCIIKKX-MYLQJJOTSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 398.2

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
κ OPRK Mouse Opioid A pKi 6.19 6.19 6.19 ChEMBL
μ OPRM Mouse Opioid A pKi 7.11 7.11 7.11 ChEMBL
δ OPRD Mouse Opioid A pKi 5.94 5.94 5.94 ChEMBL
κ OPRK Human Opioid A pKi 6.48 6.71 6.94 ChEMBL
μ OPRM Human Opioid A pKi 6.25 6.92 7.26 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Mouse Opioid A pEC50 5.87 5.87 5.87 ChEMBL
μ OPRM Mouse Opioid A pEC50 7.14 7.14 7.14 ChEMBL
μ OPRM Mouse Opioid A pIC50 4.96 4.96 4.96 ChEMBL
δ OPRD Mouse Opioid A pIC50 4.9 4.9 4.9 ChEMBL
κ OPRK Human Opioid A pIC50 5.0 5.0 5.0 ChEMBL
μ OPRM Human Opioid A pEC50 7.41 7.41 7.41 ChEMBL
μ OPRM Human Opioid A pIC50 5.38 5.38 5.38 ChEMBL