Chembl3330663


SMILES C=CC(=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 NTUJACGXFSGTKR-ZWLNRFIDSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 444.2

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 7.74 7.74 7.74 ChEMBL
κ OPRK Human Opioid A pEC50 6.86 6.86 6.86 ChEMBL
μ OPRM Human Opioid A pKi 6.01 6.01 6.01 ChEMBL