CHEMBL131872


SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CCC(NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCCN)C(C)C)C1=O)C(N)=O
InChIKey HVUNRXRFMQDMBO-BPZYSUIOSA-N

Chemical properties

Hydrogen bond acceptors 13
Hydrogen bond donors 11
Rotatable bonds 29
Molecular weight (Da) 920.5

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK2 NK2R Rat Tachykinin A pEC50 8.43 8.43 8.43 ChEMBL
NK1 NK1R Guinea pig Tachykinin A pEC50 5.37 5.37 5.37 ChEMBL
NK3 NK3R Rat Tachykinin A pEC50 5.93 5.93 5.93 ChEMBL