CHEMBL4109061


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

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 10
Molecular weight (Da) 544.3

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 6.78 6.78 6.78 ChEMBL
κ OPRK Human Opioid A pKi 9.54 9.54 9.54 ChEMBL
μ OPRM Human Opioid A pKi 8.06 8.06 8.06 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 7.18 7.18 7.18 ChEMBL
κ OPRK Human Opioid A pEC50 8.61 8.61 8.61 ChEMBL
μ OPRM Human Opioid A pEC50 7.91 7.91 7.91 ChEMBL