Compound Detail
CHEMBL5405544
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Basic Information
| ChEMBL ID | CHEMBL5405544 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AEZBHFSCQJZAFQ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
311.4
MW (Da)
2.20
ALogP
4
HBA
2
HBD
54.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Replicase polyprotein 1ab CHEMBL4523582 | IC50 | 4.46 | 4.46 | 34673.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Replicase polyprotein 1ab | IC50 | = | 34673.69 | nM | 4.46 | Inhibition of SARS-CoV-2 N-terminal 6His-SUMO-tagged 3CL protease expressed in E... | 36796300 |
| Replicase polyprotein 1ab | IC50 | = | 35000.0 | nM | 4.46 | 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