Compound Detail
CHEMBL5568631
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Basic Information
| ChEMBL ID | CHEMBL5568631 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FGELQLYSYCCROF-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
383.5
MW (Da)
3.52
ALogP
3
HBA
2
HBD
55.8
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.3
IC50 1 meas. best 6.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Replicase polyprotein 1ab CHEMBL4523582 | IC50 | 6.14 | 6.14 | 730.0 | 1 |
| SARS-CoV-2 CHEMBL4303835 | EC50 | 5.3 | 5.3 | 4980.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Replicase polyprotein 1ab | IC50 | = | 730.0 | nM | 6.14 | Inhibition of SARS-CoV-2 MPro transfected in Escherichia coli BL21 (DE3) measure... | 37659195 |
| SARS-CoV-2 | EC50 | = | 4980.0 | nM | 5.3 | Antiviral activity against SARS-CoV-2 infected in African green monkey Vero E6 c... | 37659195 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37659195 | 10.1016/j.ejmech.2023.115772 | SARS-CoV-2 | 1 |
| 37659195 | 10.1016/j.ejmech.2023.115772 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine