CHEMBL4848517


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

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 396.2

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 6.05 6.05 6.05 ChEMBL
μ OPRM Mouse Opioid A pKi 6.18 6.18 6.18 ChEMBL
δ OPRD Mouse Opioid A pKi 5.47 5.47 5.47 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 7.08 7.39 7.7 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 5.75 5.75 5.75 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.09 6.09 6.09 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.14 7.32 7.5 ChEMBL
κ OPRK Human Opioid A pKi 5.59 5.59 5.59 ChEMBL
μ OPRM Human Opioid A pKi 6.39 6.39 6.39 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 6.06 6.06 6.06 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Mouse Opioid A pEC50 5.45 5.45 5.45 ChEMBL
μ OPRM Mouse Opioid A pEC50 5.03 5.03 5.03 ChEMBL
κ OPRK Human Opioid A pIC50 5.0 5.0 5.0 ChEMBL
μ OPRM Human Opioid A pIC50 5.66 5.66 5.66 ChEMBL