Chembl4112287


SMILES COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](C(C)(C)OCc1ccccc1)C2
InChIKey RKMVNNPISYBZSA-MWDYHDBRSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 8
Molecular weight (Da) 529.3

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections


Bioactivity

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pKi 9.03 9.03 9.03 ChEMBL
κ OPRK Human Opioid A pEC50 9.55 9.55 9.55 ChEMBL
μ OPRM Human Opioid A pKi 8.75 8.75 8.75 ChEMBL
μ OPRM Human Opioid A pEC50 8.23 8.23 8.23 ChEMBL