CHEMBL2419542


SMILES CC(C)C[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](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey CJYLEVUNMXXSAG-ZTNHBREUSA-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 10.05 10.05 10.05 ChEMBL
μ OPRM Rat Opioid A pKi 7.48 7.48 7.48 ChEMBL
δ OPRD Human Opioid A pKi 9.22 9.22 9.22 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 8.04 8.04 8.04 ChEMBL
μ OPRM Rat Opioid A pEC50 9.1 9.1 9.1 ChEMBL
δ OPRD Human Opioid A pEC50 8.96 8.96 8.96 ChEMBL