CHEMBL518950


SMILES CN1CCC[C@@H](c2nc3ccccc3n2C2CCN(C3(C)CCCCCCC3)CC2)C1
InChIKey POYRSGAKCBVQQE-JOCHJYFZSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 3
Molecular weight (Da) 422.3

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
κ OPRK Human Opioid A pKi 7.6 7.6 7.6 ChEMBL
μ OPRM Human Opioid A pKi 8.43 8.43 8.43 ChEMBL
NOP OPRX Human Opioid A pKi 9.7 9.7 9.7 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 5.66 5.66 5.66 ChEMBL
κ OPRK Human Opioid A pEC50 7.16 7.16 7.16 ChEMBL
μ OPRM Human Opioid A pEC50 7.17 7.17 7.17 ChEMBL
NOP OPRX Human Opioid A pEC50 8.85 8.85 8.85 ChEMBL