CHEMBL392185


SMILES CCC(=O)N(c1ccccc1)C1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)CC1
InChIKey XEGINLDCVLRGAF-KUSJRIKGSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 5
Rotatable bonds 14
Molecular weight (Da) 698.4

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 7.4 8.41 9.42 ChEMBL
δ OPRD Human Opioid A pKi 6.75 8.09 9.44 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 8.74 8.74 8.74 ChEMBL
μ OPRM Rat Opioid A pIC50 7.05 8.06 9.08 ChEMBL
μ OPRM Rat Opioid A pEC50 7.08 8.07 9.06 ChEMBL
δ OPRD Human Opioid A pEC50 6.77 7.95 9.12 ChEMBL
δ OPRD Human Opioid A pIC50 6.4 7.75 9.1 ChEMBL