CHEMBL4115318


SMILES CC12C[C@@H]3C[C@H]1C[C@H]2C[C@H](N1[C@H]2CCC[C@@H]1C[C@H](n1c(=O)c(N4CC[C@@H]4C(=O)O)nc4ccccc41)C2)C3
InChIKey YSMGRXHMHZXHMK-HTXQCSLESA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 516.3

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 5.46 5.46 5.46 ChEMBL
κ OPRK Human Opioid A pKi 6.86 6.86 6.86 ChEMBL
μ OPRM Human Opioid A pKi 7.41 7.41 7.41 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
μ OPRM Human Opioid A pEC50 7.27 7.27 7.27 ChEMBL