CHEMBL4859858


SMILES CC[C@H]1CN2CCc3c([nH]c4cccc(OC)c34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC
InChIKey LELBFTMXCIIKKX-CYSPOEIOSA-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 5.66 5.66 5.66 ChEMBL
μ OPRM Mouse Opioid A pKi 6.24 6.24 6.24 ChEMBL
δ OPRD Mouse Opioid A pKi 5.1 5.1 5.1 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 5.8 5.8 5.8 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.97 7.3 7.64 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.26 5.26 5.26 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.88 5.88 5.88 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.02 7.22 7.42 ChEMBL
κ OPRK Human Opioid A pKi 5.5 5.5 5.5 ChEMBL
μ OPRM Human Opioid A pKi 6.14 6.14 6.14 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
μ OPRM Mouse Opioid A pEC50 5.21 5.21 5.21 ChEMBL
κ OPRK Human Opioid A pIC50 5.0 5.0 5.0 ChEMBL
μ OPRM Human Opioid A pIC50 5.24 5.24 5.24 ChEMBL