Compound Detail
CHEMBL5434729
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Basic Information
| ChEMBL ID | CHEMBL5434729 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LJRDAKHXFPYHQD-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
274.4
MW (Da)
3.39
ALogP
3
HBA
1
HBD
24.9
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Replicase polyprotein 1ab CHEMBL4523582 | IC50 | 7.65 | 6.3375 | 22.4 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Replicase polyprotein 1ab | IC50 | = | 22.39 | nM | 7.65 | Inhibition of SARS-CoV-2 N-terminal 6His-SUMO-tagged 3CL protease expressed in E... | 36796300 |
| Replicase polyprotein 1ab | IC50 | = | 23.0 | nM | 7.64 | Inhibition of SARS-CoV-2 N-terminal 6His-SUMO-tagged 3CL protease expressed in E... | 36796300 |
| Replicase polyprotein 1ab | IC50 | = | 9360.0 | nM | 5.03 | Inhibition of SARS-CoV-2 N-terminal 6His-SUMO-tagged 3CL protease expressed in E... | 36796300 |
| Replicase polyprotein 1ab | IC50 | = | 9332.54 | nM | 5.03 | 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