Compound Detail
CHEMBL4876314
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Basic Information
| ChEMBL ID | CHEMBL4876314 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GNBXQLDBALZGJH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
347.4
MW (Da)
3.49
ALogP
5
HBA
1
HBD
72.2
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SARS-CoV-2 CHEMBL4303835 | EC50 | 4.46 | 4.46 | 34470.0 | 1 |
| Influenza A virus CHEMBL613740 | EC50 | 4.08 | 4.08 | 83800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SARS-CoV-2 | EC50 | = | 34470.0 | nM | 4.46 | Antiviral activity against SARS-CoV-2 infected in African green monkey Vero E6 c... | 33962311 |
| Influenza A virus | EC50 | = | 83800.0 | nM | 4.08 | Antiviral activity against Influenza A virus A/PR/8/34(H1N1) infected in MDCK ce... | 33962311 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33962311 | 10.1016/j.ejmech.2021.113494 | Influenza A virus | 1 |
| 33962311 | 10.1016/j.ejmech.2021.113494 | MDCK | 1 |
| 33962311 | 10.1016/j.ejmech.2021.113494 | SARS-CoV-2 | 1 |
| 33962311 | 10.1016/j.ejmech.2021.113494 | Vero C1008 | 1 |
Data from ChEMBL 36 via Core Engine