CHEMBL437784


SMILES COc1cc(CC(=O)N(C)[C@H](CN2CCCC2)c2ccccc2)c(S(=O)(=O)N2CCN(C)CC2)cc1OC
InChIKey IHVHGNZAYFNZSU-XMMPIXPASA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 10
Molecular weight (Da) 544.3

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 7.64 7.64 7.64 ChEMBL
κ OPRK Human Opioid A pKi 8.89 8.89 8.89 ChEMBL
μ OPRM Human Opioid A pKi 7.28 7.28 7.28 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 9.41 9.41 9.41 ChEMBL