CHEMBL235109


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

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 6
Rotatable bonds 18
Molecular weight (Da) 845.4

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 9.42 9.42 9.42 ChEMBL
δ OPRD Human Opioid A pKi 9.44 9.44 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 9.08 9.08 9.08 ChEMBL
μ OPRM Rat Opioid A pEC50 9.05 9.05 9.06 ChEMBL
δ OPRD Human Opioid A pEC50 9.11 9.11 9.12 ChEMBL
δ OPRD Human Opioid A pIC50 9.1 9.1 9.1 ChEMBL