CHEMBL1916633


SMILES COC(=O)C1=C2CCC(C(=O)N[C@@H](CCc3c[nH]c4ccccc34)C(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)N2C(=O)C(NC(C)=O)C1
InChIKey VPBMZONAJGBYSG-MRNPYCGKSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 10
Molecular weight (Da) 721.2

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
NK1 NK1R Human Tachykinin A pKd 7.0 7.0 7.0 ChEMBL
NK1 NK1R Human Tachykinin A pKi 4.1 4.1 4.1 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database