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CHEBI:150869 - GS-443902

ChEBI IDCHEBI:150869
ChEBI NameGS-443902
Stars
DefinitionAn organic triphosphate that is GS-441524 in which the 5'-hydroxy group has been replaced by a triphosphate group. It is the active metabolite of remdesivir.
Last Modified3 June 2020
SubmitterMargaret Duesbury
DownloadsMolfile
FormulaC12H16N5O13P3
Net Charge0
Average Mass531.204
Monoisotopic Mass530.99575
SMILESN#C[C@@]1(c2ccc3c(N)ncnn23)O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O
InChIInChI=1S/C12H16N5O13P3/c13-4-12(8-2-1-6-11(14)15-5-16-17(6)8)10(19)9(18)7(28-12)3-27-32(23,24)30-33(25,26)29-31(20,21)22/h1-2,5,7,9-10,18-19H,3H2,(H,23,24)(H,25,26)(H2,14,15,16)(H2,20,21,22)/t7-,9-,10-,12+/m1/s1
InChIKeyDFVPCNAMNAPBCX-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 drug  A substance used in the prophylaxis or therapy of virus diseases.
Application:
antiviral drug  A substance used in the prophylaxis or therapy of virus diseases.
ChEBI Ontology
Outgoing Relation(s)
GS-443902 (CHEBI:150869) has functional parent GS-441524 (CHEBI:147281)
GS-443902 (CHEBI:150869) has role anticoronaviral agent (CHEBI:149553)
GS-443902 (CHEBI:150869) has role antiviral drug (CHEBI:36044)
GS-443902 (CHEBI:150869) has role drug metabolite (CHEBI:49103)
GS-443902 (CHEBI:150869) is a C-nucleoside (CHEBI:37086)
GS-443902 (CHEBI:150869) is a aromatic amine (CHEBI:33860)
GS-443902 (CHEBI:150869) is a nitrile (CHEBI:18379)
GS-443902 (CHEBI:150869) is a organic triphosphate (CHEBI:62894)
GS-443902 (CHEBI:150869) is a pyrrolotriazine (CHEBI:88341)
IUPAC Name 
((2R,3S,4R,5R)-5-(4-Aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxytetrahydrofuran-2-yl)methyl tetrahydrogen triphosphate
Synonyms  Source
GS-441524 triphosphateChemIDplus
RDV-TPChEBI
remdesivir triphosphateChemIDplus
Registry NumbersSources
CAS:1355149-45-9ChemIDplus
Citations