CHEMBL4753934


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

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 6
Molecular weight (Da) 480.2

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
μ OPRM Rat Opioid A pKi 9.08 9.08 9.08 ChEMBL
κ OPRK Guinea pig Opioid A pKi 7.4 7.4 7.4 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 8.75 8.75 8.75 ChEMBL
μ OPRM Human Opioid A pEC50 8.73 8.73 8.73 ChEMBL
κ OPRK Human Opioid A pEC50 7.0 7.0 7.0 ChEMBL