CHEMBL3608939


SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey NKULLHQHASCPKR-CDYHHZRJSA-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

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK1 NK1R Rat Tachykinin A pKi 10.38 10.38 10.38 ChEMBL
μ OPRM Rat Opioid A pKi 10.3 10.3 10.3 ChEMBL
δ OPRD Human Opioid A pKi 8.35 8.35 8.35 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 8.02 8.02 8.02 ChEMBL
μ OPRM Rat Opioid A pEC50 8.26 8.26 8.26 ChEMBL
δ OPRD Human Opioid A pEC50 8.47 8.47 8.47 ChEMBL