CHEMBL4109818


SMILES CO[C@]12CC[C@@]3(C[C@@H]1COCc1ccccc1)[C@H]1Cc4ccc(C(O)CO)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5
InChIKey ANTRYLZMCOXXEY-YXVSGDGKSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 531.3

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
κ OPRK Human Opioid A pKi 8.56 8.56 8.56 ChEMBL
μ OPRM Human Opioid A pKi 6.81 6.81 6.81 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 6.33 6.33 6.33 ChEMBL
μ OPRM Human Opioid A pEC50 6.07 6.07 6.07 ChEMBL