Chembl213155


SMILES COC(=O)[C@@H]1C[C@H](NC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C
InChIKey WBBOTIMHGGUERU-AGQYDFLVSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 431.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections


Bioactivity

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pKi 6.83 7.17 7.52 ChEMBL
κ OPRK Human Opioid A pEC50 6.73 6.83 6.92 ChEMBL
μ OPRM Human Opioid A pKi 5.38 5.38 5.38 ChEMBL