CHEMBL277863


SMILES COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@H](CN2CCCC2)C1
InChIKey HJUAKZYKCANOOZ-OAHLLOKOSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 413.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 8DZR 8DZS

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Guinea pig Opioid A pKi 9.35 9.35 9.35 ChEMBL
δ OPRD Human Opioid A pKi 6.38 6.38 6.38 ChEMBL
κ OPRK Human Opioid A pKi 9.3 9.3 9.3 ChEMBL
μ OPRM Human Opioid A pKi 7.46 7.46 7.46 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 4.75 4.75 4.75 ChEMBL
κ OPRK Human Opioid A pIC50 10.7 10.7 10.7 ChEMBL