CHEMBL3299005


SMILES COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H]2[C@@H](N3CCCC3)CCC[C@H]21
InChIKey PAVYSOUZQLFNIW-QKNQBKEWSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 3
Molecular weight (Da) 453.2

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 Guinea pig Opioid A pKi 6.8 7.73 8.01 ChEMBL
κ OPRK Human Opioid A pKi 8.03 8.03 8.03 ChEMBL
μ OPRM Human Opioid A pKi 5.63 5.63 5.63 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 6.83 6.92 6.96 ChEMBL