CHEMBL1196442


SMILES COc1ccc(-n2nnnc2NC(C)=O)cc1CN[C@H]1CCCN[C@H]1c1ccccc1
InChIKey UEECDIVOVCFUNU-FPOVZHCZSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 7
Molecular weight (Da) 421.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK1 NK1R Human Tachykinin A pKi 9.6 9.6 9.6 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database