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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:remdesivir
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Accession:CHEBI:145994 term browser browse the term
Definition:A carboxylic ester resulting from the formal condensation of the carboxy group of N-[(S)-{[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(phenoxy)phosphoryl]-L-alanine with the hydroxy group of 2-ethylbutan-1-ol. A broad-spectrum antiviral prodrug with potent in vitro antiviral activity against a diverse panel of RNA viruses such as Ebola virus, MERS-CoV and SARS-CoV. It is currently in Phase III clinical trials for the treatment of Covid-19 in adults.
Synonyms:exact_synonym: 2-ethylbutyl N-[(S)-{[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(phenoxy)phosphoryl]-L-alaninate
 related_synonym: (2S)-2-{(2R,3S,4R,5R)-[5-(4-Aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy]phenoxy-(S)-phosphorylamino}propionic acid 2-ethyl-butyl ester;   2-ethylbutyl (2S)-2-{[(S)-{[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(phenoxy)phosphoryl]amino}propanoate;   Formula=C27H35N6O8P;   GS-5734;   GS5734;   InChI=1S/C27H35N6O8P/c1-4-18(5-2)13-38-26(36)17(3)32-42(37,41-19-9-7-6-8-10-19)39-14-21-23(34)24(35)27(15-28,40-21)22-12-11-20-25(29)30-16-31-33(20)22/h6-12,16-18,21,23-24,34-35H,4-5,13-14H2,1-3H3,(H,32,37)(H2,29,30,31)/t17-,21+,23+,24+,27-,42-/m0/s1;   InChIKey=RWWYLEGWBNMMLJ-YSOARWBDSA-N;   SMILES=[C@]1(O[C@@H]([C@H]([C@H]1O)O)CO[P@@](N[C@H](C(OCC(CC)CC)=O)C)(OC=2C=CC=CC2)=O)(C#N)C=3N4N=CN=C(C4=CC3)N;   remdesivirum
 xref: CAS:1809249-37-3;   DrugBank:DB14761;   KEGG:D11472
 xref_mesh: MESH:C000606551
 xref: PMCID:PMC5630887;   PMID:26934220;   PMID:28124907;   PMID:28262699;   PMID:28659436;   PMID:29511076;   PMID:30275474;   PMID:30987343;   PMID:31142680;   PMID:31233808;   PMID:31924756;   PMID:32020029;   PMID:32054787;   PMID:32094225;   PMID:32145386;   PMID:32147516;   PMID:32152082;   Wikipedia:Remdesivir



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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 20089
    role 20042
      application 19781
        pro-agent 10161
          prodrug 9964
            remdesivir 9
Path 2
Term Annotations click to browse term
  CHEBI ontology 20089
    subatomic particle 20058
      composite particle 20058
        hadron 20088
          baryon 20088
            nucleon 20088
              atomic nucleus 20088
                atom 20058
                  main group element atom 19960
                    p-block element atom 19990
                      carbon group element atom 19916
                        carbon atom 19909
                          organic molecular entity 19909
                            heteroorganic entity 19591
                              organochalcogen compound 19339
                                organooxygen compound 19273
                                  carbohydrates and carbohydrate derivatives 13952
                                    carbohydrate 13936
                                      carbohydrate derivative 13679
                                        glycosyl compound 12935
                                          C-glycosyl compound 272
                                            C-nucleoside 9
                                              GS-441524 9
                                                remdesivir 9
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