CHEMBL4111717


SMILES COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1cccc(NC(N)=O)c1)C2
InChIKey CJKKHQGXSYJVPL-ASCUWTISSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 559.3

Drug properties

Molecular type Small molecule
Endogenous/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 8.86 8.86 8.86 ChEMBL
δ OPRD Human Opioid A pKi 7.2 7.2 7.2 ChEMBL
μ OPRM Human Opioid A pKi 7.53 7.53 7.53 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 7.27 7.27 7.27 ChEMBL
δ OPRD Human Opioid A pEC50 7.66 7.66 7.66 ChEMBL