CHEMBL4584097


SMILES COC(=O)c1cnccc1C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
InChIKey RXYSJDXUCZUPLZ-IBHWKQIPSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 5
Molecular weight (Da) 505.2

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 Mouse Opioid A pKi 7.93 7.93 7.93 ChEMBL
μ OPRM Mouse Opioid A pKi 8.37 8.37 8.37 ChEMBL
δ OPRD Mouse Opioid A pKi 6.86 6.86 6.86 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
μ OPRM Mouse Opioid A pEC50 7.87 7.87 7.87 ChEMBL