CHEMBL58362


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

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 414.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 7T2G

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Mouse Opioid A pKi 7.62 7.62 7.62 ChEMBL
μ OPRM Mouse Opioid A pKi 9.12 9.12 9.12 ChEMBL
δ OPRD Mouse Opioid A pKi 8.52 8.52 8.52 ChEMBL
κ OPRK Guinea pig Opioid A pKi 7.1 7.1 7.1 ChEMBL
δ OPRD Human Opioid A pKi 8.52 8.52 8.52 ChEMBL
κ OPRK Human Opioid A pKi 7.1 7.1 7.1 ChEMBL
μ OPRM Human Opioid A pKi 11.0 11.0 11.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Mouse Opioid A pIC50 7.51 7.51 7.51 ChEMBL
μ OPRM Mouse Opioid A pEC50 8.77 8.77 8.77 ChEMBL
δ OPRD Mouse Opioid A pIC50 7.21 7.21 7.21 ChEMBL
δ OPRD Human Opioid A pIC50 8.77 8.84 8.9 ChEMBL
δ OPRD Human Opioid A pEC50 8.77 8.77 8.77 ChEMBL
κ OPRK Human Opioid A pIC50 6.88 6.88 6.88 ChEMBL
κ OPRK Human Opioid A pEC50 8.77 8.77 8.77 ChEMBL
μ OPRM Human Opioid A pIC50 7.47 8.4 9.55 ChEMBL
μ OPRM Human Opioid A pEC50 8.77 8.77 8.77 ChEMBL