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CHEBI:147281 - GS-441524

ChEBI IDCHEBI:147281
ChEBI NameGS-441524
Stars
DefinitionA 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.
Last Modified3 June 2020
SubmitterAdnan
DownloadsMolfile
FormulaC12H13N5O4
Net Charge0
Average Mass291.267
Monoisotopic Mass291.09675
SMILESN#C[C@@]1(c2ccc3c(N)ncnn23)O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=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
InChIKeyBRDWIEOJOWJCLU-LTGWCKQJSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
anticoronaviral agent  Any antiviral agent which inhibits the activity of coronaviruses.
antiviral agent  A substance that destroys or inhibits replication of viruses.
ChEBI Ontology
Outgoing Relation(s)
GS-441524 (CHEBI:147281) has role anticoronaviral agent (CHEBI:149553)
GS-441524 (CHEBI:147281) has role antiviral agent (CHEBI:22587)
GS-441524 (CHEBI:147281) has role drug metabolite (CHEBI:49103)
GS-441524 (CHEBI:147281) is a C-nucleoside (CHEBI:37086)
GS-441524 (CHEBI:147281) is a aromatic amine (CHEBI:33860)
GS-441524 (CHEBI:147281) is a nitrile (CHEBI:18379)
GS-441524 (CHEBI:147281) is a pyrrolotriazine (CHEBI:88341)
Incoming Relation(s)
GS-441524 monophosphate (CHEBI:150866) has functional parent GS-441524 (CHEBI:147281)
GS-443902 (CHEBI:150869) has functional parent GS-441524 (CHEBI:147281)
remdesivir (CHEBI:145994) has functional parent GS-441524 (CHEBI:147281)
IUPAC Name 
(2R,3R,4S,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-carbonitrile
Synonyms  Source
GS 441524ChEBI
GS441524ChEBI
EVO984ChEBI
EVO 984ChEBI
EVO-984ChEBI
Registry NumbersSources
CAS:1191237-69-0ChEBI
Citations