CHEBI:147281 - GS-441524

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name GS-441524 ChEBI ID CHEBI:147281 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. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C12H13N5O4 Net Charge 0 Average Mass 291.267 Monoisotopic Mass 291.09675 InChI 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 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 agent A substance that destroys or inhibits replication of viruses. anticoronaviral agent Any antiviral agent which inhibits the activity of coronaviruses. View more via ChEBI Ontology ChEBI Ontology Outgoing 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 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 Sources EVO 984 ChEBI EVO-984 ChEBI EVO984 ChEBI GS 441524 ChEBI GS441524 ChEBI Registry Number Type Source 1191237-69-0 CAS Registry Number ChEBI Citations Types Sources 22446091 PubMed citation Europe PMC 28124907 PubMed citation Europe PMC 29778200 PubMed citation Europe PMC 30755068 PubMed citation Europe PMC Last Modified 03 June 2020