CHEMBL379138


SMILES CCCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O
InChIKey HFDUOBCTKDZEPL-GEJGOZOKSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 0
Rotatable bonds 5
Molecular weight (Da) 460.2

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 5.39 5.39 5.39 ChEMBL
κ OPRK Human Opioid A pKi 8.31 8.34 8.4 ChEMBL
μ OPRM Human Opioid A pKi 6.28 6.28 6.28 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 8.0 8.0 8.0 ChEMBL