CHEMBL397983


SMILES CCOc1ccc(-n2c([C@@H](C)N(Cc3cccnc3)C(=O)Cc3ccc(OC(F)(F)F)cc3)nc3ncccc3c2=O)cc1
InChIKey WQTKNBPCJKRYPA-OAQYLSRUSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 0
Rotatable bonds 10
Molecular weight (Da) 603.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 8K2W

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CXCR3 CXCR3 Human Chemokine A pKi 6.8 7.1 7.4 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CXCR3 CXCR3 Mouse Chemokine A pIC50 5.72 5.72 5.72 ChEMBL
CXCR3 CXCR3 Human Chemokine A pIC50 6.48 7.81 8.3 ChEMBL