CHEMBL217790


SMILES COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)/C=C/Cc5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314
InChIKey MZQXVMRVTJDWCK-RVVCTDIQSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 532.2

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
δ OPRD Human Opioid A pKi 6.62 6.62 6.62 ChEMBL
κ OPRK Human Opioid A pKi 7.6 7.6 7.6 ChEMBL
μ OPRM Human Opioid A pKi 8.09 8.09 8.09 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pIC50 7.58 7.58 7.58 ChEMBL
μ OPRM Human Opioid A pIC50 7.92 7.92 7.92 ChEMBL