CHEMBL387670


SMILES CCCC[C@@H](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)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1
InChIKey ANWNICGWIMZWIK-UPKFDLETSA-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 Human Tachykinin A pKi 9.15 9.15 9.15 ChEMBL
μ OPRM Rat Opioid A pKi 6.85 6.85 6.85 ChEMBL
δ OPRD Human Opioid A pKi 7.11 7.11 7.11 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 6.72 6.72 6.72 ChEMBL
NK1 NK1R Human Tachykinin A pIC50 8.54 8.54 8.54 ChEMBL
μ OPRM Rat Opioid A pEC50 6.82 6.82 6.82 ChEMBL
μ OPRM Rat Opioid A pIC50 6.54 6.54 6.54 ChEMBL
δ OPRD Human Opioid A pEC50 6.44 6.44 6.44 ChEMBL
δ OPRD Human Opioid A pIC50 6.79 6.79 6.79 ChEMBL