CHEMBL389651


SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)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 HTNOITRQNGWBCW-CYLPJFJESA-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 9.1 9.1 9.1 ChEMBL
μ OPRM Rat Opioid A pKi 7.64 7.64 7.64 ChEMBL
δ OPRD Human Opioid A pKi 8.3 8.3 8.3 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 7.0 7.0 7.0 ChEMBL
NK1 NK1R Human Tachykinin A pIC50 8.57 8.57 8.57 ChEMBL
μ OPRM Rat Opioid A pIC50 7.3 7.3 7.3 ChEMBL
μ OPRM Rat Opioid A pEC50 7.48 7.48 7.48 ChEMBL
δ OPRD Human Opioid A pIC50 7.97 7.97 7.97 ChEMBL
δ OPRD Human Opioid A pEC50 8.02 8.05 8.09 ChEMBL