CHEMBL389652


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-WXYSSXJFSA-N

Chemical properties

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

Drug properties

Molecular type Protein
Endogenous/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 9.54 9.54 9.54 ChEMBL
NK1 NK1R Human Tachykinin A pKi 9.54 9.9 10.09 ChEMBL
μ OPRM Rat Opioid A pKi 7.44 7.44 7.44 ChEMBL
δ OPRD Human Opioid A pKi 8.55 8.55 8.55 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK1 NK1R Rat Tachykinin A pIC50 9.0 9.0 9.0 ChEMBL
δ OPRD Mouse Opioid A pIC50 7.66 7.66 7.66 ChEMBL
NK1 NK1R Human Tachykinin A pIC50 9.02 9.46 9.9 ChEMBL
μ OPRM Rat Opioid A pIC50 7.1 7.11 7.11 ChEMBL
μ OPRM Rat Opioid A pEC50 7.5 7.5 7.5 ChEMBL
δ OPRD Human Opioid A pIC50 8.2 8.21 8.22 ChEMBL
δ OPRD Human Opioid A pEC50 8.5 8.53 8.54 ChEMBL