CHEMBL1766208


SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey ATJZNASWBNGJGA-UPKFDLETSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 10
Rotatable bonds 27
Molecular weight (Da) 1236.5

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
NK1 NK1R Rat Tachykinin A pKi 8.64 8.64 8.64 ChEMBL
μ OPRM Rat Opioid A pKi 8.7 8.7 8.7 ChEMBL
δ OPRD Human Opioid A pKi 9.74 9.74 9.74 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK1 NK1R Rat Tachykinin A pIC50 8.29 8.29 8.29 ChEMBL
δ OPRD Mouse Opioid A pIC50 8.74 8.74 8.74 ChEMBL
μ OPRM Rat Opioid A pIC50 8.37 8.37 8.37 ChEMBL
μ OPRM Rat Opioid A pEC50 7.54 7.54 7.54 ChEMBL
NK1 NK1R Human Tachykinin A pIC50 10.74 10.74 10.74 ChEMBL
δ OPRD Human Opioid A pIC50 9.42 9.42 9.42 ChEMBL
δ OPRD Human Opioid A pEC50 9.0 9.0 9.01 ChEMBL