Drug Information

Drug (ID: DG00532) and It's Reported Resistant Information

• Name: Remdesivir
• Synonyms: 1809249-37-3; 3QKI37EEHE; GS 5734; GS 5734 [WHO-DD]; GS-5734; GS5734; Remdesivir; REMDESIVIR [INN]; Remdesivir [USAN]; REMDESIVIR [WHO-DD]; remdesivirum; UNII-3QKI37EEHE; Veklury; 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; 2-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)propanoate; 2-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}propanoate; Veklury (TN); Remdesivir (JAN/USAN); Remdesivir (GS-5734); CHEMBL4065616; SCHEMBL17712225; GTPL10715; med.21724, Compound 178; CHEBI:145994; BDBM429505; EX-A3265; MFCD31657351; NSC825151; s8932; AT11308; BCP24975-1; DB14761; DT-0049; NSC-825151; compound 4b [PMID: 28124907]; NCGC00686694-01; 2-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) propanoate; AC-31297; GS- 5734; L-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-altrononitrile; HY-104077; CS-0028115; D11472; (2S)-2-{(2R,3S,4R,5R)-[5-(4-Aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy]phenoxy-(S)-phosphorylamino}propionic acid 2-ethyl-butyl ester; (S)-2-ethylbutyl 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)propanoate; (S)-2-Ethylbutyl 2-((S)-(((2R,3S,4R,5R)-5-(4-aminopyrrolo[1,2-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(phenoxy)phosphorylamino)propanoate; 2-ethylbutyl (2S)-2-{[(S)-{[(2R,3S,4R,5R)-5-{4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl}-5-cyano-3,4-dihydroxyoxolan-2-yl]methoxy}(phenoxy)phosphoryl]amino}propanoate; 2-ethylbutyl 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-alaninate
• Drug Resistance Disease(s):
  Disease(s) with Resistance Information Discovered by Cell Line Test for This Drug (1 diseases)
  COVID-19 [ICD-11: 1D92]; [1]
  Disease(s) with Resistance Information Validated by in-vivo Model for This Drug (1 diseases)
  COVID-19 [ICD-11: 1D92]; [2]
• Formula: C27H35N6O8P
• IsoSMILES: CCC(CC)COC(=O)[C@H](C)N[P@](=O)(OC[C@@H]1[C@H]([C@H]([C@](O1)(C#N)C2=CC=C3N2N=CN=C3N)O)O)OC4=CC=CC=C4
• InChI: 1S/C27H35N6O8P/c1-4-18(5-2)13-38-26(36)17(3)32-42(37,41-19-9-7-6-8-10-19)39-14-21-23(34)24(35)27(15-28,40-21)22-12-11-20-25(29)30-16-31-33(20)22/h6-12,16-18,21,23-24,34-35H,4-5,13-14H2,1-3H3,(H,32,37)(H2,29,30,31)/t17-,21+,23+,24+,27-,42-/m0/s1
• InChIKey: RWWYLEGWBNMMLJ-YSOARWBDSA-N
• PubChem CID: 121304016
• DrugBank ID: DB14761

Type(s) of Resistant Mechanism of This Drug

  ADTT: Aberration of the Drug's Therapeutic Target

Drug Resistance Data Categorized by Their Corresponding Diseases

ICD-01: Infectious/parasitic diseases

COVID-19 [ICD-11: 1D92]

Drug Resistance Data Categorized by Their Corresponding Mechanisms

Aberration of the Drug's Therapeutic Target (ADTT)

Key Molecule: Non-structural protein 12 (NSP12) [1]

• Resistant Disease: Corona Virus Disease 2019 [ICD-11: 1D92.0]
• Molecule Alteration: Single mutations; E802A+E802D+V791I+C799F
• Experimental Note: Revealed Based on the Cell Line Data
• In Vitro Model: Huh-7.5 cells; N.A.; Homo sapiens (Human); CVCL_7927
• Experiment for Molecule Alteration: Biochemical assay
• Experiment for Drug Resistance: In-vitro infection assay
• Mechanism Description: Remdesivir target nsp12, thereby reducing the viral load. However, the emergence of resistant mutations in 3CLpro and nsp12 could impact the efficiency of these small molecule drug therapeutics.

References

• Ref 1: SARS-CoV-2 Resistance to Small Molecule Inhibitors. Curr Clin Microbiol Rep. 2024 Sep;11(3):127-139.
• Ref 2: Structure-Based Virtual Screening to Identify Novel Potential Compound as an Alternative to Remdesivir to Overcome the RdRp Protein Mutations in SARS-CoV-2 .Front Mol Biosci. 2021 Apr 9;8:645216. doi: 10.3389/fmolb.2021.645216. eCollection 2021. 10.3389/fmolb.2021.645216