CHEMBL4109220


SMILES COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](COCc1ccc(C(O)CO)cc1)C2
InChIKey RTJWYSXNAXKJOC-FEJKDCIJSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 10
Molecular weight (Da) 561.3

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
δ OPRD Human Opioid A pKi 6.29 6.29 6.29 ChEMBL
κ OPRK Human Opioid A pKi 8.56 8.56 8.56 ChEMBL
μ OPRM Human Opioid A pKi 7.26 7.26 7.26 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 6.78 6.78 6.78 ChEMBL
κ OPRK Human Opioid A pEC50 6.8 6.8 6.8 ChEMBL
μ OPRM Human Opioid A pEC50 7.22 7.22 7.22 ChEMBL