CHEMBL4113588


SMILES COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COC(=O)[C@@H](N)CCC(N)=O)C2
InChIKey YSAXIOGYJGEWRO-RQDKNVRVSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 10
Molecular weight (Da) 539.3

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 Human Opioid A pKi 7.9 7.9 7.9 ChEMBL
μ OPRM Human Opioid A pKi 6.77 6.77 6.77 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 6.5 6.5 6.5 ChEMBL