CHEMBL2179655


SMILES CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)cc4)cc2C[C@@]3(OC/C=C/c2ccccc2)[C@H]1C5
InChIKey SHNLAVNKNFYRDC-YKYMNFOOSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 562.2

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
δ OPRD Human Opioid A pKi 8.94 8.94 8.94 ChEMBL
κ OPRK Human Opioid A pKi 8.81 8.81 8.81 ChEMBL
μ OPRM Human Opioid A pKi 9.39 9.39 9.39 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 9.23 9.23 9.23 ChEMBL
μ OPRM Human Opioid A pEC50 8.37 8.37 8.37 ChEMBL