CHEMBL401594


SMILES COc1cc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)c(S(=O)(=O)N(C)Cc2ccccc2)cc1OC
InChIKey PMZVHFNHFUXDRX-HHHXNRCGSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 12
Molecular weight (Da) 565.3

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
δ OPRD Human Opioid A pKi 8.82 8.82 8.82 ChEMBL
κ OPRK Human Opioid A pKi 9.17 9.17 9.17 ChEMBL
μ OPRM Human Opioid A pKi 7.68 7.68 7.68 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 9.27 9.27 9.27 ChEMBL