CHEMBL261608


SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=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)OCc1ccccc1
InChIKey AWLKNBWKVMBAKT-FDXPNMITSA-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 6.57 6.57 6.57 ChEMBL
NK1 NK1R Human Tachykinin A pKi 7.0 7.0 7.0 ChEMBL
μ OPRM Rat Opioid A pKi 7.54 7.54 7.54 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pEC50 7.07 7.29 7.51 ChEMBL
δ OPRD Mouse Opioid A pIC50 7.4 7.4 7.4 ChEMBL
μ OPRM Rat Opioid A pEC50 7.44 7.44 7.44 ChEMBL