CHEMBL116629


SMILES O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CC2=CC=CCC2)C(=O)N[C@H](CCc2ccccc2)CN1
InChIKey WDFGIQLGAOHWCE-POLDFPFKSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 5
Rotatable bonds 7
Molecular weight (Da) 581.3

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
NK2 NK2R Human Tachykinin A pKi 8.0 8.0 8.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database