CHEMBL2179662


SMILES CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)cc4)cc2C[C@@]3(OC(=O)CCc2ccccc2)[C@H]1C5
InChIKey IJYIYBWQZQDHRW-JJVQHPENSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 578.2

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 9.02 9.02 9.02 ChEMBL
κ OPRK Human Opioid A pKi 8.36 8.36 8.36 ChEMBL
μ OPRM Human Opioid A pKi 9.03 9.03 9.03 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 8.26 8.26 8.26 ChEMBL
κ OPRK Human Opioid A pEC50 6.87 6.87 6.87 ChEMBL
μ OPRM Human Opioid A pEC50 7.32 7.32 7.32 ChEMBL