Brief Information of the Compound and Protein
Compound Name
[(1R,3S,6R,8R,9R,10R,12S,15R,17R,18R)-8,17-bis(6-aminopurin-9-yl)-12-(2,2-dimethylpropanoyloxymethylsulfanyl)-9,18-difluoro-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.3.0.06,10]octadecan-3-yl]sulfanylmethyl 2,2-dimethylpropanoate
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PubChem ID
CID: 166627120
Canonical SMILES
CC(C)(C)C(=O)OCS[P@@]1(=O)OC[C@H]2O[C@H]([C@H](F)[C@@H]2O[P@](=O)(OC[C@H]2O[C@H]([C@H](F)[C@@H]2O1)n1cnc2c(N)ncnc12)SCOC(=O)C(C)(C)C)n1cnc2c(N)ncnc12
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Compound Formula C32H42F2N10O12P2S2
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 = 40 nM
   TI
   LI
   LO
   TS
2
EC50 = 70 nM
   TI
   LI
   LO
   TS
CL000494 THP1-Dual Homo sapiens (Human)  2
1
EC50 = 50 nM
   TI
   LI
   LO
   TS
2
EC50 = 80 nM
   TI
   LI
   LO
   TS