Compound Detail
CHEMBL5396515
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 | CHEMBL5396515 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XMIIVENAJRQNNL-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
212.3
MW (Da)
2.21
ALogP
3
HBA
1
HBD
24.9
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Replicase polyprotein 1ab CHEMBL4523582 | IC50 | 6.75 | 5.7 | 177.8 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Replicase polyprotein 1ab | IC50 | = | 177.83 | nM | 6.75 | Inhibition of SARS-CoV-2 N-terminal 6His-SUMO-tagged 3CL protease expressed in E... | 36796300 |
| Replicase polyprotein 1ab | IC50 | = | 178.0 | nM | 6.75 | Inhibition of SARS-CoV-2 N-terminal 6His-SUMO-tagged 3CL protease expressed in E... | 36796300 |
| Replicase polyprotein 1ab | IC50 | = | 22400.0 | nM | 4.65 | Inhibition of SARS-CoV-2 N-terminal 6His-SUMO-tagged 3CL protease expressed in E... | 36796300 |
| Replicase polyprotein 1ab | IC50 | = | 22387.21 | nM | 4.65 | Inhibition of SARS-CoV-2 N-terminal 6His-SUMO-tagged 3CL protease expressed in E... | 36796300 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36796300 | 10.1016/j.ejmech.2023.115186 | Replicase polyprotein 1ab | 4 |
Data from ChEMBL 36 via Core Engine