CHEMBL1198015


SMILES Cc1ccc(C(=O)N[C@@H]2CC[C@@]3(O)[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]2O6)cc1
InChIKey GPJBNWXFJJEFAT-RDGDOILBSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 4
Molecular weight (Da) 460.2

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
δ OPRD Human Opioid A pKi 8.44 9.22 10.0 ChEMBL
κ OPRK Human Opioid A pKi 9.96 10.39 10.82 ChEMBL
μ OPRM Human Opioid A pKi 5.21 7.34 9.47 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 9.85 9.85 9.85 ChEMBL
κ OPRK Human Opioid A pEC50 8.62 8.62 8.62 ChEMBL
μ OPRM Human Opioid A pEC50 8.05 8.05 8.05 ChEMBL
NOP OPRX Human Opioid A pEC50 6.87 6.87 6.87 ChEMBL