CHEMBL4741308


SMILES CO[C@@]12CC[C@H](N[C@@H](CO)C(=O)O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5
InChIKey IZZFNAUKHJUKPH-IPYZYDJNSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 5
Molecular weight (Da) 404.2

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
κ OPRK Guinea pig Opioid A pKi 6.71 6.71 6.71 ChEMBL
μ OPRM Rat Opioid A pKi 8.66 8.66 8.66 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 7.86 7.86 7.86 ChEMBL
κ OPRK Human Opioid A pEC50 5.92 5.92 5.92 ChEMBL
μ OPRM Human Opioid A pEC50 8.8 8.8 8.8 ChEMBL