CHEMBL4127872


SMILES N=C(N)NCCC[C@H](N)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)O
InChIKey KPHDBQWTCKBKIL-QHTHKRQNSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 12
Rotatable bonds 27
Molecular weight (Da) 899.5

Drug properties

Molecular type Small molecule
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 8.74 8.74 8.74 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database