CHEMBL2419537


SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey VYUZFKRVLLXBRD-JZIKEGBGSA-N

Chemical properties

Hydrogen bond acceptors None
Hydrogen bond donors None
Rotatable bonds None
Molecular weight (Da)

Drug properties

Molecular type Protein
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 8.96 8.96 8.96 ChEMBL
μ OPRM Rat Opioid A pKi 6.82 6.82 6.82 ChEMBL
δ OPRD Human Opioid A pKi 7.6 7.6 7.6 ChEMBL
NK1 NK1R Human Tachykinin A pKi 10.47 10.47 10.47 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 7.92 7.92 7.92 ChEMBL
μ OPRM Rat Opioid A pEC50 7.14 7.14 7.14 ChEMBL
δ OPRD Human Opioid A pEC50 8.6 8.6 8.6 ChEMBL