Compound Detail
CHEMBL5078686
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Basic Information
| ChEMBL ID | CHEMBL5078686 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YKUZYFKNCLTIIE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
312.3
MW (Da)
4.98
ALogP
2
HBA
1
HBD
24.9
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Venezuelan equine encephalitis virus CHEMBL613726 | EC50 | 5.6 | 5.6 | 2500.0 | 1 |
| dengue virus type 2 CHEMBL613966 | EC50 | 5.42 | 5.42 | 3800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Venezuelan equine encephalitis virus | EC50 | = | 2500.0 | nM | 5.6 | Antiviral activity against Venezuelan equine encephalitis virus TC-83 strain inf... | 34624490 |
| dengue virus type 2 | EC50 | = | 3800.0 | nM | 5.42 | Antiviral activity against DENV2 New Guinea C strain infected in human Huh7 cell... | 34624490 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34624490 | 10.1016/j.bmcl.2021.128407 | dengue virus type 2 | 1 |
| 34624490 | 10.1016/j.bmcl.2021.128407 | Huh-7 | 1 |
| 34624490 | 10.1016/j.bmcl.2021.128407 | Venezuelan equine encephalitis virus | 1 |
| 34624490 | 10.1016/j.bmcl.2021.128407 | U-87 MG | 1 |
Data from ChEMBL 36 via Core Engine