CHEMBL4449284


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

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 409.2

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 7.33 7.33 7.33 ChEMBL
μ OPRM Mouse Opioid A pKi 9.3 9.3 9.3 ChEMBL
δ OPRD Mouse Opioid A pKi 8.62 8.62 8.62 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Mouse Opioid A pIC50 6.14 6.14 6.14 ChEMBL
μ OPRM Mouse Opioid A pEC50 9.15 9.15 9.15 ChEMBL
δ OPRD Mouse Opioid A pIC50 7.14 7.14 7.14 ChEMBL