CHEMBL375359


SMILES CCCC[C@@H](NC(=O)[C@@H](N)Cc1cc2ccccc2[nH]1)C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](Cc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
InChIKey NXHWDEQNHXTHJU-KDWYPSCJSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 13
Rotatable bonds 27
Molecular weight (Da) 1031.5

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
μ OPRM Rat Opioid A pKi 8.52 8.52 8.52 ChEMBL
δ OPRD Human Opioid A pKi 9.1 9.1 9.1 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 7.82 7.82 7.82 ChEMBL
μ OPRM Rat Opioid A pEC50 8.72 8.72 8.72 ChEMBL
μ OPRM Rat Opioid A pIC50 8.16 8.45 8.73 ChEMBL
δ OPRD Human Opioid A pEC50 7.68 7.68 7.68 ChEMBL
δ OPRD Human Opioid A pIC50 7.68 8.23 8.78 ChEMBL