CHEMBL1649940


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

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 12
Molecular weight (Da) 641.4

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 9.82 9.82 9.82 ChEMBL
δ OPRD Human Opioid A pKi 8.77 8.77 8.77 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 pIC50 9.47 9.47 9.47 ChEMBL
μ OPRM Rat Opioid A pEC50 9.03 9.03 9.03 ChEMBL
δ OPRD Human Opioid A pIC50 8.44 8.44 8.44 ChEMBL