Compound Detail
CHEMBL5203407
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Basic Information
| ChEMBL ID | CHEMBL5203407 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HKKFKJQPLZBRND-NZXZSNJESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
371.4
MW (Da)
0.80
ALogP
4
HBA
3
HBD
104.4
PSA (Ų)
0.46
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Replicase polyprotein 1ab CHEMBL4523582 | IC50 | 4.91 | 4.91 | 12320.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Replicase polyprotein 1ab | IC50 | = | 12320.0 | nM | 4.91 | Inhibition of SARS-CoV-2 3CL protease expressed in Escherichia coli BL21 (DE3) c... | 35635946 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35635946 | 10.1016/j.ejmech.2022.114458 | Replicase polyprotein 1ab | 1 |
| 35635946 | 10.1016/j.ejmech.2022.114458 | A549 | 1 |
| 35635946 | 10.1016/j.ejmech.2022.114458 | SARS-CoV-2 | 1 |
Data from ChEMBL 36 via Core Engine