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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:GS-441524
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Accession:CHEBI:147281 term browser browse the term
Definition:A C-nucleoside analog that is (2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-carbonitrile substituted by a 4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl group at position 2. It is the active metabolite of remdesivir and exhibits a broad range of inhibitory activity against various RNA viruses including HCV, parainfluenza and SARS-CoV.
Synonyms:exact_synonym: (2R,3R,4S,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-carbonitrile
 related_synonym: EVO-984;   EVO984;   Formula=C12H13N5O4;   GS441524;   InChI=1S/C12H13N5O4/c13-4-12(10(20)9(19)7(3-18)21-12)8-2-1-6-11(14)15-5-16-17(6)8/h1-2,5,7,9-10,18-20H,3H2,(H2,14,15,16)/t7-,9-,10-,12+/m1/s1;   InChIKey=BRDWIEOJOWJCLU-LTGWCKQJSA-N;   SMILES=[C@]1(O[C@@H]([C@H]([C@H]1O)O)CO)(C#N)C=2N3N=CN=C(C3=CC2)N
 xref: CAS:1191237-69-0;   PMID:22446091;   PMID:28124907;   PMID:29778200;   PMID:30755068


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remdesivir term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Ache acetylcholinesterase increases hydrolysis ISO ACHE protein results in increased hydrolysis of remdesivir CTD PMID:34774545 NCBI chr12:19,407,359...19,413,713
Ensembl chr12:19,407,360...19,413,651 		JBrowse link
G Bche butyrylcholinesterase increases hydrolysis ISO BCHE protein results in increased hydrolysis of remdesivir CTD PMID:34774545 NCBI chr 2:158,308,674...158,401,148
Ensembl chr 2:158,307,584...158,401,148 		JBrowse link
G Ccl2 C-C motif chemokine ligand 2 decreases expression ISO Remdesivir decreases expression of CCL2 mRNA and protein in SARS-CoV-2 induced hepatocellular carcinoma cells RGD PMID:32360580 RGD:30309211 NCBI chr10:67,005,424...67,007,222
Ensembl chr10:67,005,424...67,007,226 		JBrowse link
G Ces1d carboxylesterase 1D multiple interactions
increases hydrolysis		 ISO Simvastatin inhibits the reaction [CES1 protein results in increased hydrolysis of remdesivir] CTD PMID:34774545 NCBI chr19:13,873,490...13,912,035
Ensembl chr19:13,796,623...13,912,035 		JBrowse link
G Ctsa cathepsin A increases hydrolysis ISO CTSA protein results in increased hydrolysis of remdesivir CTD PMID:34774545 NCBI chr 3:153,569,106...153,574,983
Ensembl chr 3:153,568,381...153,576,215 		JBrowse link
G Cxcl10 C-X-C motif chemokine ligand 10 decreases expression ISO Remdesivir decreases expression of CXCL10 mRNA and protein in SARS-CoV-2 induced hepatocellular carcinoma cells RGD PMID:32360580 RGD:30309211 NCBI chr14:15,704,772...15,706,969
Ensembl chr14:15,704,758...15,706,975 		JBrowse link
G Il1b interleukin 1 beta decreases expression ISO Remdesivir decreases expression of IL1B mRNA and protein in SARS-CoV-2 induced hepatocellular carcinoma cells RGD PMID:32360580 RGD:30309211 NCBI chr 3:116,577,005...116,583,386
Ensembl chr 3:116,577,010...116,583,415 		JBrowse link
G Il6 interleukin 6 decreases expression ISO Remdesivir decreases expression of IL-6 mRNA and protein in SARS-CoV-2 induced hepatocellular carcinoma cells RGD PMID:32360580 RGD:30309211 NCBI chr 4:5,214,602...5,219,178
Ensembl chr 4:5,213,394...5,219,178 		JBrowse link
G Tnf tumor necrosis factor decreases expression ISO Remdesivir decreases expression of TNF mRNA and protein in SARS-CoV-2 induced hepatocellular carcinoma cells RGD PMID:32360580 RGD:30309211 NCBI chr20:3,622,011...3,624,629
Ensembl chr20:3,622,011...3,624,629 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20056
    role 20008
      biological role 20007
        antimicrobial agent 17793
          antiviral agent 10476
            GS-441524 5
              GS-441524 monophosphate 0
              GS-443902 0
              remdesivir 5
Path 2
Term Annotations click to browse term
  CHEBI ontology 20056
    subatomic particle 20054
      composite particle 20054
        hadron 20054
          baryon 20054
            nucleon 20054
              atomic nucleus 20054
                atom 20054
                  main group element atom 19956
                    p-block element atom 19956
                      carbon group element atom 19882
                        carbon atom 19875
                          organic molecular entity 19875
                            heteroorganic entity 19561
                              organochalcogen compound 19310
                                organooxygen compound 19243
                                  carbohydrates and carbohydrate derivatives 13928
                                    carbohydrate 13928
                                      carbohydrate derivative 13657
                                        glycosyl compound 12913
                                          C-glycosyl compound 268
                                            C-nucleoside 5
                                              GS-441524 5
                                                GS-441524 monophosphate 0
                                                GS-443902 0
                                                remdesivir 5
paths to the root