CHEMBL3264742


SMILES O=C1[C@H]2O[C@@]34CC[C@@]5(OCOc6c(O)ccc7c6[C@@]3(CCN(CC3CC3)[C@@H]4C7)[C@H]25)N1Cc1ccccc1
InChIKey XATNEAMXYXBFBX-HJGLZJKISA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 500.2

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
μ OPRM Mouse Opioid A pKi 8.5 8.5 8.5 ChEMBL
δ OPRD Mouse Opioid A pKi 9.5 9.5 9.5 ChEMBL
κ OPRK Guinea pig Opioid A pKi 8.29 8.29 8.29 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 8.81 8.89 8.96 ChEMBL
κ OPRK Human Opioid A pEC50 7.09 7.25 7.4 ChEMBL
μ OPRM Human Opioid A pEC50 8.55 8.64 8.74 ChEMBL