CHEMBL1085565


SMILES CC(=O)Nc1cccc(/C(C)=N\NC(=O)c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)cc2)c1
InChIKey LDWBOMUFSWMQIR-VQNDASPWSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 10
Molecular weight (Da) 588.2

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
CXCR3 CXCR3 Human Chemokine A pKi 5.19 6.26 6.7 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CXCR3 CXCR3 Human Chemokine A pIC50 6.27 6.52 7.0 ChEMBL