CHEMBL4114020


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-PPGQYDOQSA-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
κ OPRK Human Opioid A pKi 6.8 6.8 6.8 ChEMBL
μ OPRM Human Opioid A pKi 6.81 6.81 6.81 ChEMBL
δ OPRD Human Opioid A pKi 5.41 5.41 5.41 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
μ OPRM Human Opioid A pEC50 6.44 6.44 6.44 ChEMBL