Compound Detail
CHEMBL5202104
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5202104 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HLSWEKKCANWZDG-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
401.4
MW (Da)
4.17
ALogP
6
HBA
2
HBD
96.4
PSA (Ų)
0.44
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.55
Ki 1 meas. best 7.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Replicase polyprotein 1ab CHEMBL4523582 | Ki | 7.11 | 7.11 | 77.3 | 1 |
| Replicase polyprotein 1ab CHEMBL4523582 | IC50 | 6.55 | 6.55 | 281.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Replicase polyprotein 1ab | Ki | = | 77.3 | nM | 7.11 | Inhibition of recombinant his tagged SARS CoV-2 main protease expressed in Esche... | 35709506 |
| Replicase polyprotein 1ab | IC50 | = | 281.0 | nM | 6.55 | 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