CHEMBL3330667


SMILES C=CCC(=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 PDQFOXCCJGTESG-GEJGOZOKSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 0
Rotatable bonds 5
Molecular weight (Da) 458.2

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 5.49 5.49 5.49 ChEMBL
κ OPRK Human Opioid A pKi 8.0 8.0 8.0 ChEMBL
μ OPRM Human Opioid A pKi 5.84 5.84 5.84 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pEC50 7.64 7.64 7.64 ChEMBL