CHEMBL229280


SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC[S+](C)[O-])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 PWPFRWYBVBHLLB-HBTMXKHJSA-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 9.7 9.7 9.7 ChEMBL
δ OPRD Human Opioid A pKi 8.32 8.32 8.32 ChEMBL
μ OPRM Rat Opioid A pKi 8.26 8.26 8.26 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK1 NK1R Human Tachykinin A pIC50 9.11 9.11 9.11 ChEMBL
δ OPRD Human Opioid A pIC50 7.92 7.92 7.92 ChEMBL
δ OPRD Human Opioid A pEC50 8.73 8.73 8.74 ChEMBL
δ OPRD Mouse Opioid A pIC50 7.48 7.48 7.48 ChEMBL
μ OPRM Rat Opioid A pEC50 7.47 7.47 7.47 ChEMBL
μ OPRM Rat Opioid A pIC50 7.89 7.89 7.89 ChEMBL