CHEMBL4094845


SMILES Oc1ccc2c(c1)C13CCN(CC4CC4)C(C2)C12CCC1C3[C@@H](CN1c1cnccn1)C2
InChIKey BGPUMDXLINMSER-FTBJKECHSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 428.3

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 9.45 9.45 9.45 ChEMBL
κ OPRK Human Opioid A pKi 9.32 9.32 9.32 ChEMBL
μ OPRM Human Opioid A pKi 9.09 9.09 9.09 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 9.37 9.37 9.37 ChEMBL
κ OPRK Human Opioid A pEC50 9.7 9.7 9.7 ChEMBL