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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 chr12:19,406,133...19,413,713
Ensembl chr12:19,407,360...19,413,651 		JBrowse link
G Atm ATM serine/threonine kinase increases phosphorylation ISO remdesivir results in increased phosphorylation of ATM protein CTD PMID:35417658 NCBI chr 8:53,828,741...53,932,773
Ensembl chr 8:53,831,093...53,932,437 		JBrowse link
G Bax BCL2 associated X, apoptosis regulator increases expression ISO remdesivir results in increased expression of BAX protein CTD PMID:35417658 NCBI chr 1:95,940,001...95,945,407
Ensembl chr 1:95,938,808...95,945,368 		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 Bcl2 BCL2, apoptosis regulator decreases expression ISO remdesivir results in decreased expression of BCL2 protein CTD PMID:35417658 NCBI chr13:22,689,783...22,853,920
Ensembl chr13:22,684,989...22,853,743
Ensembl chr13:22,684,989...22,853,743 		JBrowse link
G Bcl2l11 Bcl2-like 11 increases expression ISO remdesivir results in increased expression of BCL2L11 protein CTD PMID:35417658 NCBI chr 3:115,366,783...115,404,068
Ensembl chr 3:115,366,646...115,404,068 		JBrowse link
G Casp3 caspase 3 decreases expression ISO remdesivir results in decreased expression of CASP3 protein CTD PMID:35417658 NCBI chr16:45,662,910...45,681,171
Ensembl chr16:45,662,910...45,684,648 		JBrowse link
G Casp7 caspase 7 decreases expression ISO remdesivir results in decreased expression of CASP7 protein CTD PMID:35417658 NCBI chr 1:255,437,438...255,476,737
Ensembl chr 1:255,437,172...255,476,729 		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 Cdx2 caudal type homeo box 2 increases expression ISO remdesivir results in increased expression of CDX2 mRNA CTD PMID:35605700 NCBI chr12:7,726,798...7,733,142
Ensembl chr12:7,726,798...7,733,142 		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 Esrrb estrogen-related receptor beta decreases expression ISO remdesivir results in decreased expression of ESRRB mRNA CTD PMID:35605700 NCBI chr 6:106,007,701...106,163,136
Ensembl chr 6:106,008,095...106,160,791 		JBrowse link
G Foxo3 forkhead box O3 increases expression ISO remdesivir results in increased expression of FOXO3 protein CTD PMID:35417658 NCBI chr20:45,669,708...45,764,606
Ensembl chr20:45,672,995...45,764,561 		JBrowse link
G Gata3 GATA binding protein 3 increases expression ISO remdesivir results in increased expression of GATA3 mRNA CTD PMID:35605700 NCBI chr17:68,643,760...68,666,000
Ensembl chr17:68,643,873...68,665,391 		JBrowse link
G Gata4 GATA binding protein 4 decreases expression ISO remdesivir results in decreased expression of GATA4 mRNA CTD PMID:35605700 NCBI chr15:37,459,601...37,531,291
Ensembl chr15:37,459,601...37,505,636 		JBrowse link
G H2ax H2A.X variant histone increases expression ISO remdesivir results in increased expression of H2AX protein CTD PMID:35417658 NCBI chr 8:44,671,907...44,673,262
Ensembl chr 8:44,671,786...44,673,239 		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 Mki67 marker of proliferation Ki-67 decreases expression ISO remdesivir results in decreased expression of MKI67 protein CTD PMID:35417658 NCBI chr 1:190,496,319...190,522,983
Ensembl chr 1:190,496,319...190,522,762 		JBrowse link
G Nanog Nanog homeobox decreases expression ISO remdesivir results in decreased expression of NANOG mRNA CTD PMID:35605700 NCBI chr 4:155,943,737...155,951,116
Ensembl chr 4:155,943,737...155,951,116 		JBrowse link
G Parp1 poly (ADP-ribose) polymerase 1 increases expression ISO remdesivir results in increased expression of PARP1 protein CTD PMID:35417658 NCBI chr13:92,307,593...92,339,406
Ensembl chr13:92,307,586...92,339,404 		JBrowse link
G Pdgfra platelet derived growth factor receptor alpha decreases expression ISO remdesivir results in decreased expression of PDGFRA mRNA CTD PMID:35605700 NCBI chr14:33,005,838...33,054,347
Ensembl chr14:33,005,839...33,054,335 		JBrowse link
G Sox17 SRY-box transcription factor 17 decreases expression ISO remdesivir results in decreased expression of SOX17 mRNA CTD PMID:35605700 NCBI chr 5:15,016,660...15,022,228
Ensembl chr 5:15,016,731...15,022,228 		JBrowse link
G Sox2 SRY-box transcription factor 2 decreases expression ISO remdesivir results in decreased expression of SOX2 mRNA CTD PMID:35605700 NCBI chr 2:117,536,929...117,539,340
Ensembl chr 2:117,536,929...117,539,338 		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
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Term Annotations click to browse term
  CHEBI ontology 19811
    role 19818
      application 19630
        pro-agent 11523
          prodrug 11284
            remdesivir 27
Path 2
Term Annotations click to browse term
  CHEBI ontology 19811
    subatomic particle 19809
      composite particle 19809
        hadron 19840
          baryon 19809
            nucleon 19809
              atomic nucleus 19809
                atom 19809
                  main group element atom 19759
                    p-block element atom 19759
                      carbon group element atom 19708
                        carbon atom 19734
                          organic molecular entity 19705
                            heteroorganic entity 19459
                              organochalcogen compound 19222
                                organooxygen compound 19137
                                  carbohydrates and carbohydrate derivatives 15269
                                    carbohydrate 15284
                                      carbohydrate derivative 14290
                                        glycosyl compound 13035
                                          C-glycosyl compound 317
                                            C-nucleoside 27
                                              GS-441524 27
                                                remdesivir 27
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