EM-523


SMILES CCN([C@H]1C[C@@H](C)O[C@H]([C@@H]1O)O[C@@H]1[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@@H](C)C(=O)O[C@@H]([C@@]([C@@H]([C@H](C2=C(C[C@]1(C)O2)C)C)O)(C)O)CC)C
InChIKey UTTLXGDLSXWDJI-OTELOYJSSA-N

Chemical properties

Hydrogen bond acceptors 13
Hydrogen bond donors 4
Rotatable bonds 8
Molecular weight (Da) 729.5

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 8.8 8.8 8.8 Guide to Pharmacology
δ OPRD Human Opioid A pKi 7.24 8.42 8.88 ChEMBL
δ OPRD Mouse Opioid A pKi 7.9 7.9 7.9 Guide to Pharmacology
μ OPRM Rat Opioid A pKi 6.36 6.36 6.36 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
μ OPRM Human Opioid A pIC50 8.8 8.8 8.8 ChEMBL
δ OPRD Human Opioid A pEC50 7.57 8.24 9.92 ChEMBL
δ OPRD Human Opioid A pIC50 8.8 9.07 9.52 ChEMBL
δ OPRD Mouse Opioid A pEC50 6.9 7.45 8.0 ChEMBL