Chembl2022018


SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](/C=C\c3ccoc3)C[C@]21C
InChIKey VALYNDJYCKKKGR-JCUACHPISA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 458.2

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 pEC50 5.86 5.86 5.86 ChEMBL
κ OPRK Human Opioid A pKi 7.52 7.52 7.52 ChEMBL
μ OPRM Human Opioid A pKi 5.58 5.58 5.58 ChEMBL