CHEMBL394419


SMILES O=C(NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCN2CCOCC2)CCc2ccccc21)c1cc2ccccc2s1
InChIKey GXIZWYDJPVSHBX-ZMLFZXNESA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 11
Molecular weight (Da) 610.3

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
NK2 NK2R Guinea pig Tachykinin A pKi 7.7 7.7 7.7 ChEMBL
NK2 NK2R Human Tachykinin A pKi 7.0 7.85 8.7 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database