Compound Detail
CHEMBL5279839
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Basic Information
| ChEMBL ID | CHEMBL5279839 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TZYCSBPXQNJQIR-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
477.5
MW (Da)
3.41
ALogP
7
HBA
2
HBD
103.1
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.44
IC50 1 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Junin virus CHEMBL4523072 | EC50 | 8.44 | 8.44 | 3.6 | 1 |
| Mammarenavirus choriomeningitidis CHEMBL5291622 | EC50 | 8.1 | 8.1 | 8.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.92 | 6.92 | 121.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 6.8 | 6.8 | 160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Junin virus | EC50 | = | 3.6 | nM | 8.44 | Antiviral activity against Junin virus | 36758821 |
| Mammarenavirus choriomeningitidis | EC50 | = | 8.0 | nM | 8.1 | Antiviral activity against Lymphocytic choriomeningitis virus | 36758821 |
| Unchecked | IC50 | = | 121.0 | nM | 6.92 | CPE Inhibitory Effect Confirming Assay: A test sample was diluted with a culture... | - |
| Unchecked | EC50 | = | 160.0 | nM | 6.8 | CPE Inhibitory Effect Confirming Assay: A test sample was diluted with a culture... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36758821 | 10.1016/j.bmcl.2023.129175 | Junin virus | 2 |
| 36758821 | 10.1016/j.bmcl.2023.129175 | Mammarenavirus choriomeningitidis | 2 |
Data from ChEMBL 36 via Core Engine