Compound Detail
CHEMBL5207613
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Basic Information
| ChEMBL ID | CHEMBL5207613 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XSSISSHDAZOWJY-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
259.3
MW (Da)
2.79
ALogP
5
HBA
1
HBD
71.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.91
Ki 1 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Replicase polyprotein 1ab CHEMBL4523582 | Ki | 6.92 | 6.92 | 119.0 | 1 |
| Replicase polyprotein 1ab CHEMBL4523582 | IC50 | 5.91 | 5.91 | 1220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Replicase polyprotein 1ab | Ki | = | 119.0 | nM | 6.92 | Inhibition of recombinant his tagged SARS CoV-2 main protease expressed in Esche... | 35709506 |
| Replicase polyprotein 1ab | IC50 | = | 1220.0 | nM | 5.91 | Inhibition of recombinant his tagged SARS CoV-2 main protease expressed in Esche... | 35709506 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35709506 | 10.1021/acs.jmedchem.2c00636 | Replicase polyprotein 1ab | 3 |
Data from ChEMBL 36 via Core Engine