CHEMBL387101


SMILES COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NCCc5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314
InChIKey OOKLDXGRMJGSQV-ZLPBPMGLSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 492.2

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 7.47 7.47 7.47 ChEMBL
κ OPRK Human Opioid A pKi 7.88 7.88 7.88 ChEMBL
μ OPRM Human Opioid A pKi 8.88 8.88 8.88 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pIC50 7.2 7.2 7.2 ChEMBL
κ OPRK Human Opioid A pIC50 7.36 7.36 7.36 ChEMBL
μ OPRM Human Opioid A pIC50 8.43 8.43 8.43 ChEMBL