CHEMBL2419543


SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey NTYJRAGMLUHRNV-DZGOFYRVSA-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 8.8 8.8 8.8 ChEMBL
μ OPRM Rat Opioid A pKi 7.82 7.82 7.82 ChEMBL
NK1 NK1R Human Tachykinin A pKi 10.01 10.01 10.01 ChEMBL
δ OPRD Human Opioid A pKi 8.24 8.24 8.24 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 7.07 7.07 7.07 ChEMBL
μ OPRM Rat Opioid A pEC50 7.43 7.43 7.43 ChEMBL
δ OPRD Human Opioid A pEC50 7.12 7.12 7.12 ChEMBL