molnupiravir   Click here for help

GtoPdb Ligand ID: 10737

Synonyms: EIDD-2801 | EIDD2801 | MK-4482 | MK4482
Compound class: Synthetic organic
Comment: Molnupiravir (EIDD-2801, MK-4482) is a clinical stage, oral, broad-spectrum antiviral drug [1,3]. The proposed INN molnupiravir was released by the WHO in a special release to cover COVID-related therapeutics in October 2020 (Proposed INN: List 124- COVID-19). Chemically molnupiravir it is the isopropylester prodrug of the ribonucleoside analogue β-D-N4-hydroxycytidine (EIDD-1931, or N-hydroxycytidine) [4-5]. EIDD-2801 was originally designed by Emory University scientists to inhibit replication of influenza virus. It has subsequently been tested for activity against other RNA viruses, including pandemic SARS-CoV-2, SARS-CoV and MERS-CoV [6]. EIDD-2801 is being progressed for COVID-19 in a collaboration between Ridgeback Biotherapeutics and Merck.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 6
Topological polar surface area 143.14
Molecular weight 329.12
XLogP 0
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES ONc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COC(=O)C(C)C
Isomeric SMILES ONc1ccn(c(=O)n1)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COC(=O)C(C)C
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
InChI Key HTNPEHXGEKVIHG-QCNRFFRDSA-N
Classification Click here for help
Compound class Synthetic organic
Synonyms Click here for help
EIDD-2801 | EIDD2801 | MK-4482 | MK4482
Database Links Click here for help
CAS Registry No. 2349386-89-4 (source: WHO INN record)
DrugCentral Ligand 5377
GtoPdb PubChem SID 405067330
PubChem CID 145996610
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