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Inhibitor Report for: Remdesivir

Remdesivir is a prodrug of an adenosine triphosphate (ATP) analog, with potential antiviral activity against a variety of RNA viruses. Substrate of CES1 and inhibitor of CES2. Remdesivir, the first COVID-19 drug granted the full approval by the FDA



General
Type: Pro-Drug, Drug, Not A/B H target, Propionate
Chemical_Nomenclature: 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
Canonical SMILES: CCC(CC)COC(=O)C(C)NP(=O)(OCC1C(C(C(O1)(C#N)C2=CC=C3N2N=CN=C3N)O)O)OC4=CC=CC=C4
InChI: 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
Other name(s): 3QKI37EEHE ; GS 5734 ; GS-5734 ; CHEMBL4065616 ; SCHEMBL17712225 ; CHEBI:145994
MW: 602.6
Formula: C27H35N6O8P
CAS_number: 1809249-37-3
PubChem: 121304016
IUPHAR:
Wikipedia:

Target families
Remdesivir ligand of proteins in family: Carb_B_Chordata
No structure

Protein target
Enzyme: human-CES2

References
Search PubMed for references concerning: Remdesivir

6 more
    Title: Remdesivir potently inhibits carboxylesterase-2 through covalent modifications: signifying strong drug-drug interactions
    Shen Y, Eades W, Yan B
    Ref: Fundamental & Clinical Toxicology, 35:432, 2021 : PubMed

            

    Title: Human carboxylesterase 1A plays a predominant role in the hydrolytic activation of remdesivir in humans
    Zhang F, Li HX, Zhang TT, Xiong Y, Wang HN, Lu ZH, Xiong L, He YQ, Ge GB
    Ref: Chemico-Biological Interactions, 351:109744, 2021 : PubMed

            

    Title: Therapeutic efficacy of the small molecule GS-5734 against Ebola virus in rhesus monkeys
    Warren TK, Jordan R, Lo MK, Ray AS, Mackman RL, Soloveva V, Siegel D, Perron M, Bannister R and Bavari S <52 more author(s)>
    Ref: Nature, 531:381, 2016 : PubMed