CHEMBL4789014


SMILES CO[C@@]12CC[C@H](N[C@H](C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)C(C)C)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5
InChIKey QLMICPWFXLJOEI-AANUSGNESA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 5
Rotatable bonds 9
Molecular weight (Da) 579.3

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
κ OPRK Guinea pig Opioid A pKi 7.16 7.16 7.16 ChEMBL
μ OPRM Rat Opioid A pKi 9.09 9.09 9.09 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 8.94 8.94 8.94 ChEMBL
κ OPRK Human Opioid A pEC50 6.48 6.48 6.48 ChEMBL
μ OPRM Human Opioid A pEC50 9.05 9.05 9.05 ChEMBL