CHEMBL4458337


SMILES CC[C@@H]1CN2CC[C@]3(Nc4cccc(-c5ccccc5)c4C3=O)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC
InChIKey VCRVOVUTAHEQNK-RHLYTPARSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 460.2

Drug properties

Molecular type Small molecule
Endogenous/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 7.29 7.29 7.29 ChEMBL
μ OPRM Mouse Opioid A pKi 9.04 9.04 9.04 ChEMBL
δ OPRD Mouse Opioid A pKi 9.1 9.1 9.1 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Mouse Opioid A pIC50 6.77 6.77 6.77 ChEMBL
μ OPRM Mouse Opioid A pEC50 8.85 8.85 8.85 ChEMBL
δ OPRD Mouse Opioid A pEC50 9.08 9.08 9.08 ChEMBL
δ OPRD Human Opioid A pEC50 8.85 8.85 8.85 ChEMBL
κ OPRK Human Opioid A pEC50 8.85 8.85 8.85 ChEMBL
μ OPRM Human Opioid A pEC50 8.85 8.85 8.85 ChEMBL