Brief Information of the Compound and Protein
Compound Name
[(1R,3R,6R,8R,9R,10R,15R,17R,18R)-8,17-bis(6-aminopurin-9-yl)-9,18-difluoro-12-hydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.3.0.06,10]octadecan-3-yl]oxymethyl benzoate
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PubChem ID
CID: 166630302
Canonical SMILES
Nc1ncnc2n(cnc12)[C@@H]1O[C@@H]2CO[P@@](=O)(OCOC(=O)c3ccccc3)O[C@@H]3[C@@H](COP(O)(=O)O[C@H]2[C@H]1F)O[C@H]([C@@H]3F)n1cnc2c(N)ncnc12
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Compound Formula C28H28F2N10O12P2
Compound Structure
Protein Name
Stimulator of interferon genes protein
Protein Classification
Unclassified protein
Uniprot ID
Q86WV6
Gene Name
STING1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  2
1
EC50 = 400 nM
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2
EC50 = 3090 nM
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CL000494 THP1-Dual Homo sapiens (Human)  2
1
EC50 = 270 nM
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2
EC50 = 1740 nM
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   LI
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