CHEMBL1650847


SMILES CN1CCN(c2nc3ccccc3n2C2CCN(C3(CO)CCCCCCC3)CC2)CC1
InChIKey KKZDLJLLJLHPRT-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 439.3

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 8.37 8.37 8.37 ChEMBL
δ OPRD Human Opioid A pKi 6.17 6.17 6.17 ChEMBL
κ OPRK Human Opioid A pKi 6.48 6.48 6.48 ChEMBL
μ OPRM Human Opioid A pKi 6.64 6.64 6.64 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NOP OPRX Human Opioid A pEC50 7.77 7.77 7.77 ChEMBL
κ OPRK Human Opioid A pEC50 7.75 7.75 7.75 ChEMBL