CHEMBL299031


SMILES CC[C@@H]1CN2CCc3c([nH]c4cccc(OC)c34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC
InChIKey LELBFTMXCIIKKX-QVRQZEMUSA-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
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
μ OPRM Mouse Opioid A pKi 6.64 6.64 6.64 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 5.32 5.32 5.32 ChEMBL
δ OPRD Mouse Opioid A pKi 6.0 6.0 6.0 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 5.03 5.03 5.03 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 5.63 5.63 5.63 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 5.87 5.87 5.87 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 5.26 5.26 5.26 ChEMBL
κ OPRK Guinea pig Opioid A pKi 5.96 6.44 6.91 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 5.0 5.0 5.0 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 5.33 5.33 5.33 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 5.9 5.9 5.9 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 5.23 5.23 5.23 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.3 5.3 5.3 ChEMBL
δ OPRD Human Opioid A pKi 7.22 7.22 7.22 ChEMBL
κ OPRK Human Opioid A pKi 6.11 6.41 6.7 ChEMBL
μ OPRM Human Opioid A pKi 6.63 6.74 6.79 ChEMBL
κ OPRK Mouse Opioid A pKi 6.64 6.64 6.64 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
μ OPRM Mouse Opioid A pEC50 6.69 6.69 6.69 ChEMBL
κ OPRK Guinea pig Opioid A pEC50 6.64 6.64 6.64 ChEMBL
κ OPRK Human Opioid A pEC50 5.07 5.07 5.07 ChEMBL
μ OPRM Human Opioid A pEC50 6.47 7.08 9.31 ChEMBL