Remdesivir
2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
Molecular Identity
Remdesivir
2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
PubChem CID: 121304016
Remdesivir is a carboxylic ester resulting from the formal condensation of the carboxy group of N-[(S)-{[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(phenoxy)phosphoryl]-L-alanine with the hydroxy group of 2-ethylbutan-1-ol. A broad-spectrum antiviral prodrug with potent in vitro antiviral activity against a diverse panel of RNA viruses such as Ebola virus, MERS-CoV and SARS-CoV. It is currently in Phase III clinical trials for the treatment of Covid-19 in adults. It has a role as an anticoronaviral agent, an antiviral drug and a prodrug. It is a nitrile, a phosphoramidate ester, a carboxylic ester, an aromatic amine, a C-nucleoside and a pyrrolotriazine. It is functionally related to a GS-441524.
2D Structure
Properties
C27H35N6O8P
Molecular Formula
602.60
Molecular Weight
g/mol
602.2254
Exact Mass
Da
1.9
XLogP
Drug-like (Lipinski: < 5)
204
TPSA
May have limited oral absorption
4
H-Bond Donors
13
H-Bond Acceptors
1010
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Remdesivir1809249-37-3GS-5734Veklury3QKI37EEHEremdesivirumGS 5734Remdesivir [USAN]GS5734CHEBI:145994DTXSID7010225372-ethylbutyl (2S)-2-(((2R, 3S, 4R, 5R)-5-(4-aminopyrrolo(2,1-f) (1,2,4)triazin-7-yl)-5-cyano-3,4-dihydroxytetrahydrofuran-2-yl) methoxy)(phenoxy) phosphoryl) amino) propanoateL-Alanine, N-((S)-hydroxyphenoxyphosphinyl)-, 2-ethylbutyl ester, 6-ester with 2-C-(4-aminopyrrolo(2,1-f)(1,2,4)triazin-7-yl)-2,5-anhydro-D-altrononitrile2-Ethylbutyl (2S)-2-(((S)-(((2R,3S,4R,5R)-5-(4-aminopyrrolo(2,1-f)(1,2,4)triazin-7-yl)-5-cyano-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(phenoxy)phosphoryl)amino)propanoate2-ETHYLBUTYL N-((S)-(2-C-(4-AMINOPYRROLO(2,1-F)(1,2,4)TRIAZIN-7-YL)-2,5-ANHYDRO-D-ALTRONONITRIL-6-O-YL)PHENOXYPHOSPHORYL)-L-ALANINATE
Data from PubChem (NCBI)
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