CHEMBL4112155


SMILES COc1ccc2c3c1O[C@@H]1[C@]34CCN(CCC(N)=O)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccccc1)C2
InChIKey UOHHELYULJAZBW-NPBSHTHCSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 518.3

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
δ OPRD Human Opioid A pKi 5.83 5.83 5.83 ChEMBL
κ OPRK Human Opioid A pKi 8.77 8.77 8.77 ChEMBL
μ OPRM Human Opioid A pKi 6.42 6.42 6.42 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 7.29 7.29 7.29 ChEMBL
μ OPRM Human Opioid A pEC50 5.82 5.82 5.82 ChEMBL