CHEMBL4113890


SMILES COc1ccc2c3c1O[C@@H]1[C@]34CCN(Cc3nn[nH]n3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccccc1)C2
InChIKey LJKWSKUTFPQAJW-LDGIGSNBSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 529.3

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
κ OPRK Human Opioid A pKi 7.36 7.36 7.36 ChEMBL
μ OPRM Human Opioid A pKi 6.01 6.01 6.01 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 5.62 5.62 5.62 ChEMBL
μ OPRM Human Opioid A pEC50 5.87 5.87 5.87 ChEMBL