CHEMBL370272


SMILES 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 UPFVFWZGNRKYFG-ZWLNRFIDSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 446.2

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
κ OPRK Mouse Opioid A pKi 7.49 7.49 7.49 ChEMBL
δ OPRD Human Opioid A pKi 5.17 5.17 5.17 ChEMBL
κ OPRK Human Opioid A pKi 8.14 8.44 8.74 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Mouse Opioid A pEC50 6.99 7.38 7.77 ChEMBL
κ OPRK Human Opioid A pEC50 6.85 7.41 7.69 ChEMBL