CHEMBL4107541


SMILES COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H]([C@](O)(CC(O)CO)c1ccccc1)C2
InChIKey CNTAUNWPRVDTGK-RQFDAPRJSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 9
Molecular weight (Da) 561.3

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 7.89 7.89 7.89 ChEMBL
μ OPRM Human Opioid A pKi 7.3 7.3 7.3 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 6.91 6.91 6.91 ChEMBL
μ OPRM Human Opioid A pEC50 6.71 6.71 6.71 ChEMBL