Compound Detail
CHEMBL5077193
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5077193 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XEKCXAWULRRKDV-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
304.2
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.95
IC50 1 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.19 | 5.19 | 6400.0 | 1 |
| SARS-CoV-2 CHEMBL4303835 | EC50 | 4.95 | 4.95 | 11200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 6400.0 | nM | 5.19 | Inhibition of GST-tagged SARS-CoV-2 main protease expressed in Escherichia coli ... | 34570513 |
| SARS-CoV-2 | EC50 | = | 11200.0 | nM | 4.95 | Antiviral activity against SARS-CoV-2 USA_WA1/2020 infected in African green mon... | 34570513 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38631262 | 10.1016/j.ejmech.2024.116404 | ADMET | 2 |
| 34570513 | 10.1021/acs.jmedchem.1c00566 | Unchecked | 1 |
| 34570513 | 10.1021/acs.jmedchem.1c00566 | SARS-CoV-2 | 1 |
Data from ChEMBL 36 via Core Engine