Compound Detail
CHEMBL5590459
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Basic Information
| ChEMBL ID | CHEMBL5590459 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BYKZUJNNGOVUDB-UHFFFAOYSA-O |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
388.4
MW (Da)
3.10
ALogP
3
HBA
1
HBD
62.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Replicase polyprotein 1ab CHEMBL4523582 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Replicase polyprotein 1ab | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of SARS CoV-2 main protease | 37944867 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37944867 | 10.1016/j.bmcl.2023.129547 | Replicase polyprotein 1ab | 2 |
Data from ChEMBL 36 via Core Engine