Brief Information of the Compound and Protein
Compound Name
(-)-(R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydropyrido[2,3-d]pyrimidin-2-yl)ethyl)-N-(pyridin-3-ylmethyl)-2-(4-(trifluoromethoxy)phenyl)acetamide
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PubChem ID
CID: 24957182
SID: 56255027
Canonical SMILES
CCOc1ccc(cc1)-n1c(nc2ncccc2c1=O)[C@@H](C)N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1
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Compound Formula C32H28F3N5O4
Compound Structure
Protein Name
C-X-C chemokine receptor type 3
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
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Peptide receptor (family A GPCR)
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Chemokine receptor
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CXC chemokine receptor
Uniprot ID
P49682
Gene Name
CXCR3
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 330 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  2
1
Ki = 39.81 nM
   TI
   LI
   LO
   TS
2
Ki = 158.49 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 5 nM
2 IC50 = 8 nM
3 IC50 = 8.2 nM
4 IC50 = 49 nM