CHEMBL1649946


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

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 5
Rotatable bonds 14
Molecular weight (Da) 716.4

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 11.0 11.0 11.0 ChEMBL
δ OPRD Human Opioid A pKi 10.52 10.52 10.52 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 pEC50 9.16 9.16 9.16 ChEMBL
μ OPRM Rat Opioid A pIC50 10.81 10.81 10.81 ChEMBL
δ OPRD Human Opioid A pEC50 9.92 9.92 9.92 ChEMBL
δ OPRD Human Opioid A pIC50 10.19 10.19 10.19 ChEMBL