CHEMBL3752678


SMILES CCC(=O)N(CC1CCCCN1[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)c1ccccc1
InChIKey HZHZYPWUASGOMR-NYIWYSSJSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 5
Rotatable bonds 16
Molecular weight (Da) 685.3

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
μ OPRM Rat Opioid A pKi 8.7 8.7 8.7 ChEMBL
δ OPRD Human Opioid A pKi 8.7 8.7 8.7 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 8.15 8.15 8.15 ChEMBL
μ OPRM Rat Opioid A pIC50 8.49 8.49 8.49 ChEMBL
δ OPRD Human Opioid A pIC50 8.31 8.31 8.31 ChEMBL