CHEMBL260121


SMILES COC(=O)[C@@H]1C[C@H](OC(=O)c2cc3ccccc3o2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C
InChIKey LMEHDXHLTZLSLY-KJOAITKCSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 534.2

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 6.24 6.24 6.24 ChEMBL
κ OPRK Human Opioid A pKi 7.16 7.16 7.16 ChEMBL
μ OPRM Human Opioid A pKi 8.0 8.0 8.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 5.95 5.95 5.95 ChEMBL
μ OPRM Human Opioid A pEC50 5.78 5.78 5.78 ChEMBL