Compound Detail
CHEMBL5593969
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 | CHEMBL5593969 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | COZHWXLQRALJBE-LJQANCHMSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
382.5
MW (Da)
2.81
ALogP
4
HBA
1
HBD
57.6
PSA (Ų)
0.87
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.07
IC50 1 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Replicase polyprotein 1ab CHEMBL4523582 | IC50 | 6.16 | 6.16 | 690.0 | 1 |
| SARS-CoV-2 CHEMBL4303835 | EC50 | 5.07 | 5.07 | 8520.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Replicase polyprotein 1ab | IC50 | = | 690.0 | nM | 6.16 | Inhibition of SARS-CoV-2 MPro transfected in Escherichia coli BL21 (DE3) measure... | 37659195 |
| SARS-CoV-2 | EC50 | = | 8520.0 | nM | 5.07 | Antiviral activity against SARS-CoV-2 infected in African green monkey Vero E6 c... | 37659195 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37659195 | 10.1016/j.ejmech.2023.115772 | SARS-CoV-2 | 1 |
| 37659195 | 10.1016/j.ejmech.2023.115772 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine