CHEMBL2419540


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)N1CCC[C@@H]1C(=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 TWBCIHKYFTWYCV-KVJHGWDUSA-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 8.44 8.44 8.44 ChEMBL
μ OPRM Rat Opioid A pKi 7.12 7.12 7.12 ChEMBL
NK1 NK1R Human Tachykinin A pKi 9.06 9.06 9.06 ChEMBL
δ OPRD Human Opioid A pKi 7.89 7.89 7.89 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 8.07 8.07 8.07 ChEMBL
μ OPRM Rat Opioid A pEC50 6.92 6.92 6.92 ChEMBL
δ OPRD Human Opioid A pEC50 6.72 6.72 6.72 ChEMBL