CHEMBL607068


SMILES CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@H]1C5
InChIKey PMHKQZZWOMGKBX-IAYRCESESA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 475.2

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 9.27 9.27 9.27 ChEMBL
κ OPRK Human Opioid A pKi 8.26 8.26 8.26 ChEMBL
μ OPRM Human Opioid A pKi 9.7 9.7 9.7 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
μ OPRM Bovine Opioid A pIC50 9.55 9.55 9.55 ChEMBL
δ OPRD Human Opioid A pIC50 8.46 8.46 8.46 ChEMBL
κ OPRK Human Opioid A pIC50 8.18 8.18 8.18 ChEMBL