Brief Information of the Compound and Protein
Compound Name
4-[[4-amino-6-(2-methoxyethoxy)-2-oxo-3H-benzimidazol-1-yl]methyl]-N-[(1S,3S,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,32S,33R,34R,35R,36R,37R,38R,39R,40R,41R,42R)-32,33,34,35,36,37,38,39,40,41,42-undecahydroxy-5,10,15,20,25,30-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontan-31-yl]benzamide
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PubChem ID
CID: 156014549
Canonical SMILES
COCCOc1cc(N)c2nc(O)n(Cc3ccc(cc3)C(=O)N[C@H]3[C@H](O)[C@@H]4O[C@H](CO)[C@H]3O[C@H]3O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O[C@H]6O[C@H](CO)[C@@H](O[C@H]7O[C@H](CO)[C@@H](O[C@H]8O[C@H](CO)[C@@H](O4)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]3O)c2c1
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Compound Formula C54H78N4O33
Compound Structure
Protein Name
Toll-like receptor 7
Protein Classification
Membrane receptor
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Toll-like and Il-1 receptors
Uniprot ID
P58681
Gene Name
TLR7
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000014 RAW 264.7 Mus musculus (Mouse)  3
1
EC50 = 57 nM
   TI
   LI
   LO
   TS
2
EC50 = 186 nM
   TI
   LI
   LO
   TS
3
EC50 = 1060 nM
   TI
   LI
   LO
   TS