CHEMBL607016


SMILES COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)/C=C/c5ccccc5Cl)[C@@H](C2)N(C)CC[C@]314
InChIKey CEMNPQJBUQZWJA-LDHJJSPKSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 478.2

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
δ OPRD Human Opioid A pKi 9.24 9.24 9.24 ChEMBL
κ OPRK Human Opioid A pKi 8.6 8.6 8.6 ChEMBL
μ OPRM Human Opioid A pKi 9.17 9.17 9.17 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 8.66 8.66 8.66 ChEMBL
κ OPRK Human Opioid A pEC50 8.07 8.07 8.07 ChEMBL
μ OPRM Human Opioid A pEC50 9.3 9.3 9.3 ChEMBL