CHEMBL5416899


SMILES CC(C)[C@H]1CC[C@@H](N2CCC(n3c(CNC(=O)c4cnco4)cc4ccccc43)CC2)CC1
InChIKey DIDXXNQKOFBLNV-GRGXKFILSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 448.3

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 9.48 9.48 9.48 ChEMBL
δ OPRD Human Opioid A pKi 7.26 7.26 7.26 ChEMBL
κ OPRK Human Opioid A pKi 7.92 7.92 7.92 ChEMBL
μ OPRM Human Opioid A pKi 9.57 9.57 9.57 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NOP OPRX Human Opioid A pEC50 8.03 8.03 8.03 ChEMBL
δ OPRD Human Opioid A pEC50 5.55 5.55 5.55 ChEMBL
κ OPRK Human Opioid A pEC50 5.79 5.79 5.79 ChEMBL
μ OPRM Human Opioid A pEC50 7.52 7.52 7.52 ChEMBL