Compound Detail
CHEMBL5093994
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Basic Information
| ChEMBL ID | CHEMBL5093994 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CSRGTYBEJPCJDH-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
348.3
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.21
EC50 1 meas. best 4.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Replicase polyprotein 1ab CHEMBL4523582 | IC50 | 6.21 | 6.21 | 609.5 | 2 |
| Unchecked CHEMBL612545 | IC50 | 6.21 | 6.21 | 610.0 | 1 |
| SARS-CoV-2 CHEMBL4303835 | EC50 | 4.58 | 4.58 | 26500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 610.0 | nM | 6.21 | Inhibition of GST-tagged SARS-CoV-2 main protease expressed in Escherichia coli ... | 34570513 |
| Replicase polyprotein 1ab | IC50 | = | 610.0 | nM | 6.21 | Inhibition of recombinant SARS CoV-2 main protease by FRET assay | 38925524 |
| Replicase polyprotein 1ab | IC50 | = | 609.54 | nM | 6.21 | Inhibition of recombinant SARS CoV-2 main protease by FRET assay | 38925524 |
| SARS-CoV-2 | EC50 | = | 26500.0 | nM | 4.58 | Antiviral activity against SARS-CoV-2 USA_WA1/2020 infected in African green mon... | 34570513 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34570513 | 10.1021/acs.jmedchem.1c00566 | Unchecked | 2 |
| 38925524 | 10.1016/j.bmcl.2024.129852 | Replicase polyprotein 1ab | 2 |
| 34570513 | 10.1021/acs.jmedchem.1c00566 | SARS-CoV-2 | 1 |
| 34570513 | 10.1021/acs.jmedchem.1c00566 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine