CHEMBL4109778


SMILES CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(OCC(=O)O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5
InChIKey HAAGAXZZVIBWSV-SMHPFREUSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 10
Molecular weight (Da) 545.3

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
δ OPRD Human Opioid A pKi 5.98 5.98 5.98 ChEMBL
κ OPRK Human Opioid A pKi 7.7 7.7 7.7 ChEMBL
μ OPRM Human Opioid A pKi 6.79 6.79 6.79 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 6.69 6.69 6.69 ChEMBL
μ OPRM Human Opioid A pEC50 6.47 6.47 6.47 ChEMBL