CHEMBL4740464


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

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 6
Molecular weight (Da) 402.2

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 6.83 6.83 6.83 ChEMBL
μ OPRM Rat Opioid A pKi 8.85 8.85 8.85 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 8.22 8.22 8.22 ChEMBL
κ OPRK Human Opioid A pEC50 5.47 5.47 5.47 ChEMBL
μ OPRM Human Opioid A pEC50 7.91 7.91 7.91 ChEMBL