CHEMBL3609616


SMILES C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey IQGTUPXJLRMAOA-OHQNULFHSA-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 9.82 9.82 9.82 ChEMBL
NK1 NK1R Human Tachykinin A pKi 9.92 9.92 9.92 ChEMBL
μ OPRM Rat Opioid A pKi 7.43 7.43 7.43 ChEMBL
δ OPRD Human Opioid A pKi 7.46 7.46 7.46 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 7.37 7.37 7.37 ChEMBL
μ OPRM Rat Opioid A pEC50 7.0 7.0 7.0 ChEMBL
δ OPRD Human Opioid A pEC50 6.82 6.82 6.82 ChEMBL