Compound Detail
CHEMBL5573557
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 | CHEMBL5573557 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IXTRHVKNNCAPDT-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
323.4
MW (Da)
2.51
ALogP
4
HBA
1
HBD
75.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.6
Ki 1 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Replicase polyprotein 1ab CHEMBL4523582 | Ki | 7.43 | 7.43 | 37.0 | 1 |
| SARS-CoV-2 CHEMBL4303835 | EC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Replicase polyprotein 1ab | Ki | = | 37.0 | nM | 7.43 | Binding affinity to SARS-CoV-2 MPro assessed as inhibition constant | 37659195 |
| SARS-CoV-2 | EC50 | = | 2500.0 | nM | 5.6 | 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