CHEBI:150869 - GS-443902

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ChEBI Name GS-443902
ChEBI ID CHEBI:150869
Definition An organic triphosphate that is GS-441524 in which the 5'-hydroxy group has been replaced by a triphosphate group.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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Margaret Duesbury
Supplier Information
Download Molfile XML SDF
Formula C12H16N5O13P3
Net Charge 0
Average Mass 531.203
Monoisotopic Mass 530.99575
InChI InChI=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
InChIKey DFVPCNAMNAPBCX-LTGWCKQJSA-N
SMILES [C@]1(O[C@@H]([C@H]([C@H]1O)O)COP(OP(OP(O)(=O)O)(=O)O)(=O)O)(C#N)C=2N3N=CN=C(C3=CC2)N
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): drug metabolite

antiviral drug
A substance used in the prophylaxis or therapy of virus diseases.
anticoronaviral agent
Any antiviral agent which inhibits the activity of coronaviruses.
Application(s): antiviral drug
A substance used in the prophylaxis or therapy of virus diseases.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
GS-441524 triphosphate ChemIDplus
RDV-TP
Note: (2020-06-03) Used as an abbreviation is some journal articles.
 ChEBI
remdesivir triphosphate ChemIDplus
Registry Number Type Source
1355149-45-9 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
22446091 PubMed citation Europe PMC
26934220 PubMed citation SUBMITTER
28124907 PubMed citation Europe PMC
32247927 PubMed citation Europe PMC
32358203 PubMed citation SUBMITTER
32402130 PubMed citation Europe PMC
PMC7242921 PubMed Central citation Europe PMC
Last Modified
03 June 2020