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
Accession: CHEBI:147281
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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
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
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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
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
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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
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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
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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
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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
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
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
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