Chembl4110056


SMILES COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1cccc(C(=N)N)c1)C2
InChIKey JLAKHOAQFJJFAS-SMHPFREUSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 543.3

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 8.54 8.54 8.54 ChEMBL
κ OPRK Human Opioid A pEC50 6.87 6.87 6.87 ChEMBL
μ OPRM Human Opioid A pKi 7.45 7.45 7.45 ChEMBL