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Substrate Report for: Molnupiravir

Molnupiravir (EIDD-2801, MK-4482) is the isopropylester prodrug of [N4-hydroxycytidine] ribonucleoside analogue. The active drug incorporates into the genome of RNA viruses, leading to an accumulation of mutations known as viral error catastrophe


General
Type Pro-Drug, Drug, Not A/B H target, Propionate
Chemical_Nomenclature [(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2-methylpropanoate
Canonical SMILES CC(C)C(=O)OCC1C(C(C(O1)N2C=CC(=NC2=O)NO)O)O
InChI InChI=1S/C13H19N3O7/c1-6(2)12(19)22-5-7-9(17)10(18)11(23-7)16-4-3-8(15-21)14-13(16)20/h3-4,6-7,9-11,17-18,21H,5H2,1-2H3,(H,14,15,20)/t7-,9-,10-,11-/m1/s1
InChIKey HTNPEHXGEKVIHG-QCNRFFRDSA-N
Other name(s) EIDD 2801 ; EIDD-2801 ; EIDD2801
________________________________________________________________________________________________
MW|329.31
Formula|C13H19N3O7
CAS_number|2349386-89-4
PubChem|145996610
UniChem|HTNPEHXGEKVIHG-QCNRFFRDSA-N
IUPHAR|
Wikipedia|

Target
Families | Molnupiravir ligand of proteins in family: Carb_B_Chordata
Protein | human-CES2, mouse-Ces2c

References:
Search PubMed for references concerning: Molnupiravir
    Title: The Crystal Structure of Mouse Ces2c, a Potential Ortholog of Human CES2, Shows Structural Similarities in Substrate Regulation and Product Release to Human CES1
    Eisner H, Riegler-Berket L, Gamez CFR, Sagmeister T, Chalhoub G, Darnhofer B, Jazleena PJ, Birner-Gruenberger R, Pavkov-Keller T and Oberer M <2 more author(s)>
    Ref: Int J Mol Sci, 23:, 2022 : PubMed

            

    Title: The Covid-19 oral drug Molnupiravir is a CES2 substrate: potential drug-drug interactions and impact of CES2 genetic polymorphism in vitro
    Shen Y, Eades W, Liu W, Yan B
    Ref: Drug Metabolism & Disposition: The Biological Fate of Chemicals, :, 2022 : PubMed