CHEMBL4743953


SMILES CO[C@@]12CC[C@H](NCCCC(=O)O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5
InChIKey HAVQMMOFQDNJHT-MOSLHWROSA-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
Physiological/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 7.34 7.34 7.34 ChEMBL
μ OPRM Rat Opioid A pKi 9.11 9.11 9.11 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 7.46 7.46 7.46 ChEMBL
κ OPRK Human Opioid A pEC50 5.69 5.69 5.69 ChEMBL
μ OPRM Human Opioid A pEC50 8.54 8.54 8.54 ChEMBL