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Compound Detail

CHEMBL4650320

MOLNUPIRAVIR
🧪 Phase III
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🧪 Phase III
CC(C)C(=O)OC[C@H]1O[C@@H](n2cc/c(=N\O)[nH]c2=O)[C@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4650320
Name MOLNUPIRAVIR
Phase Phase III
Structure Type MOL
InChI Key HTNPEHXGEKVIHG-QCNRFFRDSA-N
Therapeutic ✓ Yes
Active Moiety CHEMBL2178720

Known Names

Eidd 1931-isopropyl ester EIDD-1931 ISOPROPYL ESTER Eidd-2801 MK-4482 Molnupiravir
7
Targets
16
Activities
2
Assay Types
0
PK Parameters
20
Publications
5
Known Names
8
Indications
1
Mechanisms

Molecular Properties

329.3
MW (Da)
-1.72
ALogP
9
HBA
4
HBD
146.4
PSA (Ų)
0.29
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Flags

Prodrug
USAN Stem -vir; -vir
USAN Year 2020

Extended Properties

Molecular Formula C13H19N3O7
MW 329.31
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 1.24

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
RNA disrupting agent DISRUPTING AGENT RNA ✓ ✓

Indications

Severe Acute Respiratory Syndrome Severe Acute Respiratory Syndrome Virus Diseases Influenza, Human Respiratory Syncytial Virus Infections COVID-19 Kidney Diseases Liver Diseases

ATC Classification

J05AB18
molnupiravir
Level 1: ANTIINFECTIVES FOR SYSTEMIC USE
Level 2: ANTIVIRALS FOR SYSTEMIC USE

Activity Summary

EC50 13 meas. best 6.75
IC50 3 meas. best 6.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human coronavirus OC43
CHEMBL5209665
 EC50 6.75 6.75 180.0 1
SARS-CoV-2
CHEMBL4303835
 IC50 6.12 5.915 756.0 2
SARS-CoV-2
CHEMBL4303835
 EC50 5.91 5.42 1220.0 7
Monkeypox virus
CHEMBL613120
 EC50 5.87 5.87 1350.0 1
Murine hepatitis virus
CHEMBL613733
 IC50 5.85 5.85 1400.0 1
Influenza A virus
CHEMBL613740
 EC50 5.22 5.2 6000.0 2
dengue virus type 2
CHEMBL613966
 EC50 4.63 4.63 23380.0 1
Influenza B virus
CHEMBL613129
 EC50 4.62 4.62 23800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Human coronavirus OC43 EC50 = 180.0 nM 6.75 Antiviral activity against HCoV-OC43 VR-1558 infected in human NCI-H460 cells as... 38061229
SARS-CoV-2 IC50 = 756.0 nM 6.12 Antiviral activity against SARS-CoV-2 omicron variant infected in human Calu-3 c... 36965227
SARS-CoV-2 EC50 = 1220.0 nM 5.91 Antiviral activity against SARS-CoV-2 Omicron B1.1.529 infected in African green... 38232463
Monkeypox virus EC50 = 1350.0 nM 5.87 Antiviral activity against Monkeypox virus Zr-599 infected in African green monk... 36961984
Murine hepatitis virus IC50 = 1400.0 nM 5.85 Antiviral activity against MHV expressing nLuc infected in human DB cells assess... 38199328
SARS-CoV-2 IC50 = 1965.0 nM 5.71 Antiviral activity against wild type SARS-CoV-2 infected in human Calu-3 cells o... 36965227
SARS-CoV-2 EC50 = 2000.0 nM 5.7 Antiviral activity against SARS-CoV-2 37257024
SARS-CoV-2 EC50 = 2810.0 nM 5.55 Antiviral activity against SARS-CoV-2 RG-2674 (Beta) infected in African green m... 38232463
SARS-CoV-2 EC50 = 4310.0 nM 5.37 Antiviral activity against SARS-CoV-2 Wuhan/WIV04/2020 infected in African green... 38232463
SARS-CoV-2 EC50 = 5440.0 nM 5.26 Antiviral activity against SARS-CoV-2 NVDBB-2220 (Alpha) infected in African gre... 38232463
Influenza A virus EC50 = 6000.0 nM 5.22 Antiviral activity against Influenza A virus A/Hong Kong/8/68 (H3N2) infected in... 36764470
SARS-CoV-2 EC50 = 6040.0 nM 5.22 Antiviral activity against SARS-CoV-2 860-J1 (Delta) infected in African green m... 38232463
Influenza A virus EC50 = 6600.0 nM 5.18 Antiviral activity against Influenza A virus A/Puerto Rico/8/34 (H1N1) infected ... 36764470
SARS-CoV-2 EC50 = 11800.0 nM 4.93 Antiviral activity against SARS-CoV-2 (hCoV-19/Korea/KCDC-06/2020) infected in A... 36764470
dengue virus type 2 EC50 = 23380.0 nM 4.63 Antiviral activity against Dengue virus 2 infected in hamster BHK-21 cells incub... 36764470
Influenza B virus EC50 = 23800.0 nM 4.62 Antiviral activity against Influenza B virus B/Lee/40 infected in MDCK cells ass... 36764470

Literature References

PubMed DOI Target Context # Activities
38232463 10.1016/j.ejmech.2024.116128 SARS-CoV-2 5
- 10.6019/CHEMBL4651402 SARS-CoV-2 4
37040439 10.1021/acs.jmedchem.3c00046 SARS-CoV-2 3
38232463 10.1016/j.ejmech.2024.116128 Vero 2
36764470 10.1016/j.bmcl.2023.129174 Influenza A virus 2
38061229 10.1016/j.ejmech.2023.115978 Human coronavirus OC43 2
36965227 10.1016/j.ejmech.2023.115292 SARS-CoV-2 2
36961984 10.1021/acs.jmedchem.3c00069 Monkeypox virus 1
38199328 10.1016/j.bmcl.2024.129617 Murine hepatitis virus 1
38061229 10.1016/j.ejmech.2023.115978 NCI-H460 1
37756225 10.1021/acs.jmedchem.3c00777 MT2 1
37756225 10.1021/acs.jmedchem.3c00777 MOLT-4 1
37756225 10.1021/acs.jmedchem.3c00777 PBMC 1
37257024 10.1021/acs.jnatprod.3c00249 SARS-CoV-2 1
36857518 10.1021/acs.jnatprod.2c00580 SARS-CoV-2 1
36764470 10.1016/j.bmcl.2023.129174 BHK-21 1
36764470 10.1016/j.bmcl.2023.129174 dengue virus type 2 1
36764470 10.1016/j.bmcl.2023.129174 Influenza B virus 1
36764470 10.1016/j.bmcl.2023.129174 MDCK 1
36764470 10.1016/j.bmcl.2023.129174 SARS-CoV-2 1

Data from ChEMBL 36 via Core Engine