Molnupiravir
General
Type : Pro-Drug, Drug, Not AlphaBeta Hydrolase target, Propionate, Nucleoside
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 || Molnupavir || MK-4482 || CHEMBL4650320 || SCHEMBL23762545 || CHEBI:180653
MW : 329.31
Formula : C13H19N3O7
CAS_number : 2349386-89-4
PubChem : 145996610
UniChem : HTNPEHXGEKVIHG-QCNRFFRDSA-N
Target
Structures : No structure
Families : Carb_B_Chordata, BCHE
References (3)
| Title : Evaluation of In Vitro Distribution and Plasma Protein Binding of Selected Antiviral Drugs (Favipiravir, Molnupiravir and Imatinib) against SARS-CoV-2 - Domotor_2023_Int.J.Mol.Sci_24_2849 |
| Author(s) : Domotor O , Enyedy A |
| Ref : Int J Mol Sci , 24 :2849 , 2023 |
| Abstract : |
| PubMedSearch : Domotor_2023_Int.J.Mol.Sci_24_2849 |
| PubMedID: 36769193 |
| Title : The Covid-19 oral drug Molnupiravir is a CES2 substrate: potential drug-drug interactions and impact of CES2 genetic polymorphism in vitro - Shen_2022_Drug.Metab.Dispos__ |
| Author(s) : Shen Y , Eades W , Liu W , Yan B |
| Ref : Drug Metabolism & Disposition: The Biological Fate of Chemicals , : , 2022 |
| Abstract : |
| PubMedSearch : Shen_2022_Drug.Metab.Dispos__ |
| PubMedID: 35790245 |
| 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_2022_Int.J.Mol.Sci_23_13101 |
| Author(s) : Eisner H , Riegler-Berket L , Gamez CFR , Sagmeister T , Chalhoub G , Darnhofer B , Jazleena PJ , Birner-Gruenberger R , Pavkov-Keller T , Haemmerle G , Schoiswohl G , Oberer M |
| Ref : Int J Mol Sci , 23 : , 2022 |
| Abstract : |
| PubMedSearch : Eisner_2022_Int.J.Mol.Sci_23_13101 |
| PubMedID: 36361897 |
| Gene_locus related to this paper: mouse-Ces2c |