Brief Information of the Compound and Protein
Compound Name
4-{[(2S,4S)-4-fluoro-1-{2-[3-methoxy-4-({[2-(trifluoromethyl)phenyl]carbamoyl}amino)phenyl]acetyl}pyrrolidin-2-yl]methoxy}benzoic acid
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PubChem ID
CID: 23647823
Canonical SMILES
COc1cc(CC(=O)N2C[C@@H](F)C[C@H]2COc2ccc(cc2)C(O)=O)ccc1NC(=O)Nc1ccccc1C(F)(F)F
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Compound Formula C29H27F4N3O6
Compound Structure
Protein Name
Integrin alpha-4
Protein Classification
Membrane receptor
Uniprot ID
P13612
Gene Name
ITGA4
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  2
1
IC50 = 106 nM
   TI
   LI
   LO
   TS
2
IC50 > 1000 nM
   TI
   LI
   LO
   TS