CHEMBL4874877


SMILES C/C=C1/CN2CC[C@]34C(=Nc5ccccc53)[C@@H]2C[C@@H]1[C@@]4(COC(C)=O)C(=O)OC
InChIKey QBHALCZZZWCCLV-XIPRXZKPSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 3
Molecular weight (Da) 394.2

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
δ OPRD Human Opioid A pKi 4.2 4.21 4.22 ChEMBL
κ OPRK Human Opioid A pKi 5.96 5.98 6.0 ChEMBL
μ OPRM Human Opioid A pKi 4.5 4.5 4.51 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Mouse Opioid A pIC50 5.57 5.58 5.6 ChEMBL
μ OPRM Mouse Opioid A pIC50 4.7 4.71 4.73 ChEMBL
δ OPRD Mouse Opioid A pIC50 4.6 4.61 4.61 ChEMBL