Compound Detail
CHEMBL5314365
MONENSIN SODIUM 💊 Approved Drug
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💊 Approved Drug
CC[C@@]1([C@H]2O[C@H]([C@H]3O[C@@](O)(CO)[C@H](C)C[C@@H]3C)C[C@H]2C)CC[C@H]([C@@]2(C)CC[C@]3(C[C@H](O)[C@@H](C)[C@@H]([C@H](C)[C@H](OC)[C@@H](C)C(=O)[O-])O3)O2)O1.[Na+]
Basic Information
| ChEMBL ID | CHEMBL5314365 |
| Name | MONENSIN SODIUM |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | XOIQMTLWECTKJL-PDHYURILSA-M |
| Parent Compound | CHEMBL256105 |
| Active Moiety | CHEMBL256105 |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
19
Publications
5
Known Names
Molecular Properties
670.9
MW (Da)
4.27
ALogP
10
HBA
4
HBD
153.4
PSA (Ų)
0.26
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Activity Summary
IC50 3 meas. best 9.22
EC50 2 meas. best 5.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium berghei CHEMBL612653 | IC50 | 9.22 | 9.22 | 0.6 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.81 | 5.81 | 1540.0 | 1 |
| SARS-CoV-2 CHEMBL4303835 | IC50 | 5.5 | 5.5 | 3180.0 | 2 |
| Human coronavirus OC43 CHEMBL5209665 | EC50 | 5.42 | 5.42 | 3810.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium berghei | IC50 | = | 0.6 | nM | 9.22 | HARVARD: Inhibition of liver stage Plasmodium berghei infection in HepG2 cells | 22586124 |
| Unchecked | EC50 | = | 1540.0 | nM | 5.81 | Antiviral activity against HCoV-NL63 infected in Rhesus macaque LLC-MK2 cells in... | 32845145 |
| SARS-CoV-2 | IC50 | = | 3180.0 | nM | 5.5 | Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity o... | - |
| SARS-CoV-2 | IC50 | = | 3180.0 | nM | 5.5 | Determination of IC50 values for inhibition of SARS-CoV-2 induced cytotoxicity o... | - |
| Human coronavirus OC43 | EC50 | = | 3810.0 | nM | 5.42 | Antiviral activity against wild type HCoV-OC43 infected in BHK-21 cells incubate... | 32845145 |
Literature References
Data from ChEMBL 36 via Core Engine