Compound Detail
CHEMBL5283839
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O=C1C=C/C(=N\Nc2ccc([N+](=O)[O-])cc2Cl)C=C1C(=O)Nc1cccc(Cl)c1
Basic Information
| ChEMBL ID | CHEMBL5283839 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IRUCTMUVKDPOSM-YDZHTSKRSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
431.2
MW (Da)
4.37
ALogP
6
HBA
2
HBD
113.7
PSA (Ų)
0.32
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| dengue virus type 2 CHEMBL613966 | EC50 | 6.09 | 6.09 | 810.0 | 1 |
| Zika virus CHEMBL4296612 | EC50 | 6.0 | 6.0 | 1000.0 | 1 |
| West Nile virus CHEMBL613730 | EC50 | 5.9 | 5.9 | 1270.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| dengue virus type 2 | EC50 | = | 810.0 | nM | 6.09 | Antiviral activity against DENV2 New Guinea C infected in human A549 cells measu... | 34458734 |
| Zika virus | EC50 | = | 1000.0 | nM | 6.0 | Antiviral activity against Zika virus Puerto Rico strain PRVABC59 infected in hu... | 34458734 |
| West Nile virus | EC50 | = | 1270.0 | nM | 5.9 | Antiviral activity against West Nile virus NY003356V2 infected in human A549 cel... | 34458734 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34458734 | 10.1039/D1MD00080B | A549 | 1 |
| 34458734 | 10.1039/D1MD00080B | West Nile virus | 1 |
| 34458734 | 10.1039/D1MD00080B | dengue virus type 2 | 1 |
| 34458734 | 10.1039/D1MD00080B | Zika virus | 1 |
Data from ChEMBL 36 via Core Engine