CHEMBL457451


SMILES O=C1N(CCN2CCCC2)CN(c2ccccc2)C12CCN(C(c1ccccc1Cl)c1ccccc1Cl)CC2
InChIKey NJDAIEKCJUPYPX-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 7
Molecular weight (Da) 562.2

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
NOP OPRX Human Opioid A pKi 8.65 8.65 8.65 ChEMBL
δ OPRD Human Opioid A pKi 6.04 6.04 6.04 ChEMBL
κ OPRK Human Opioid A pKi 6.59 6.59 6.59 ChEMBL
δ OPRD Human Opioid A pKi 6.04 6.04 6.04 PDSP Ki database
NOP OPRX Human Opioid A pKi 8.65 8.65 8.65 PDSP Ki database
κ OPRK Human Opioid A pKi 6.6 6.6 6.6 PDSP Ki database
μ OPRM Human Opioid A pKi 6.36 6.36 6.36 PDSP Ki database
μ OPRM Human Opioid A pKi 6.36 6.36 6.36 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database