CHEMBL5178409


SMILES CC[C@@H]1CN2CC[C@]3(O)c4c(cccc4OC)NC3[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC
InChIKey QXFXDJATKPXTFF-GQFFIINBSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 416.2

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 Guinea pig Opioid A pKi 7.07 7.07 7.07 ChEMBL
δ OPRD Human Opioid A pKi 6.66 6.66 6.66 ChEMBL
κ OPRK Human Opioid A pKi 6.73 6.73 6.73 ChEMBL
μ OPRM Human Opioid A pKi 7.33 7.33 7.33 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Mouse Opioid A pIC50 5.1 5.1 5.1 ChEMBL
δ OPRD Mouse Opioid A pIC50 5.0 5.0 5.0 ChEMBL
δ OPRD Human Opioid A pIC50 5.6 5.6 5.6 ChEMBL
κ OPRK Human Opioid A pIC50 6.16 6.16 6.16 ChEMBL
μ OPRM Human Opioid A pEC50 7.46 7.46 7.46 ChEMBL