CHEMBL501331


SMILES CN1CCC[C@H](c2nc3ccccc3n2C2CCN(C3(C)CCCCCCC3)CC2)C1
InChIKey POYRSGAKCBVQQE-QFIPXVFZSA-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
NOP OPRX Human Opioid A pKi 9.62 9.62 9.62 ChEMBL
δ OPRD Human Opioid A pKi 6.96 6.96 6.96 ChEMBL
κ OPRK Human Opioid A pKi 8.0 8.0 8.0 ChEMBL
μ OPRM Human Opioid A pKi 7.96 7.96 7.96 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NOP OPRX Human Opioid A pEC50 8.8 8.8 8.8 ChEMBL
δ OPRD Human Opioid A pEC50 6.41 6.41 6.41 ChEMBL
κ OPRK Human Opioid A pEC50 7.89 7.89 7.89 ChEMBL
μ OPRM Human Opioid A pEC50 7.15 7.15 7.15 ChEMBL