CHEMBL2113294


SMILES COc1ccc2c3c1O[C@H]1[C@]4(OC)CC[C@@]5(C[C@@H]4CNC(=O)/C=C/c4ccccc4)[C@@H](C2)N(C)CC[C@]315
InChIKey ZHTZIUSLOIZPHL-KNTDEHBRSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 500.3

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 7.06 7.06 7.06 ChEMBL
κ OPRK Human Opioid A pKi 7.62 7.62 7.62 ChEMBL
μ OPRM Human Opioid A pKi 8.77 8.77 8.77 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 6.88 6.88 6.88 ChEMBL
μ OPRM Human Opioid A pEC50 6.8 7.09 7.38 ChEMBL