Chembl378767


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](c3ccoc3)C[C@]21C
InChIKey OBSYBRPAKCASQB-ASUQIVHDSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 0
Rotatable bonds 3
Molecular weight (Da) 432.2

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 6.37 6.37 6.37 ChEMBL
κ OPRK Human Opioid A pEC50 6.42 7.02 8.19 ChEMBL