CHEMBL420903


SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O
InChIKey CDLZQEQEXGEUBL-BURNTYAHSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 7
Rotatable bonds 7
Molecular weight (Da) 557.2

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 9.2 9.2 9.2 ChEMBL
κ OPRK Human Opioid A pKi 5.19 5.19 5.19 ChEMBL
μ OPRM Human Opioid A pKi 8.64 8.64 8.64 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 9.46 9.46 9.46 ChEMBL