CHEMBL2419538


SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NC1(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCCC1
InChIKey KTVJZUAZYBDWSQ-CDFUTJIBSA-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 8.11 8.11 8.11 ChEMBL
μ OPRM Rat Opioid A pKi 6.96 6.96 6.96 ChEMBL
NK1 NK1R Human Tachykinin A pKi 10.18 10.18 10.18 ChEMBL
δ OPRD Human Opioid A pKi 8.3 8.3 8.3 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Mouse Opioid A pIC50 8.29 8.29 8.29 ChEMBL
μ OPRM Rat Opioid A pEC50 7.27 7.27 7.27 ChEMBL
δ OPRD Human Opioid A pEC50 9.59 9.59 9.59 ChEMBL