CHEMBL216365


SMILES COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NC(=O)C/C=C/c5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314
InChIKey XDXBTYKYLDMHQZ-HVNGRDOMSA-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 6.98 6.98 6.98 ChEMBL
κ OPRK Human Opioid A pKi 7.67 7.67 7.67 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
δ OPRD Human Opioid A pIC50 6.93 6.93 6.93 ChEMBL
κ OPRK Human Opioid A pIC50 6.97 6.97 6.97 ChEMBL
μ OPRM Human Opioid A pIC50 8.9 8.9 8.9 ChEMBL