CHEMBL1649943


SMILES CCC(=O)N(c1ccccc1)C1CCN(C(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)CC1
InChIKey KLGSIEGKQXHQIC-VECIQGBVSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 5
Rotatable bonds 14
Molecular weight (Da) 732.3

Drug properties

Molecular type Small molecule
Endogenous/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 9.85 9.85 9.85 ChEMBL
δ OPRD Human Opioid A pKi 9.85 9.85 9.85 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 9.15 9.15 9.15 ChEMBL
μ OPRM Rat Opioid A pIC50 9.41 9.41 9.41 ChEMBL
μ OPRM Rat Opioid A pEC50 9.46 9.48 9.51 ChEMBL
δ OPRD Human Opioid A pEC50 9.79 9.79 9.8 ChEMBL
δ OPRD Human Opioid A pIC50 9.52 9.52 9.52 ChEMBL