CHEMBL3647960


SMILES O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C2CCCCCCCCCC2)c1=O
InChIKey YQRPDABJJCVAGZ-ZBYYUNFXSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 451.3

Drug properties

Molecular type Small molecule
Endogenous/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 8.05 8.05 8.05 ChEMBL
δ OPRD Human Opioid A pKi 5.05 5.05 5.05 ChEMBL
κ OPRK Human Opioid A pKi 5.05 5.91 6.19 ChEMBL
μ OPRM Human Opioid A pKi 5.8 5.8 5.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 5.71 5.71 5.71 ChEMBL
μ OPRM Human Opioid A pEC50 4.75 4.75 4.75 ChEMBL