Compound Detail
CHEMBL4853799
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N/C(=N\O)c1cccc(-c2ccc3c(c2)c2cc(-c4cccc(/C(N)=N/O)c4)ccc2n3S(=O)(=O)c2ccccc2OC(F)(F)F)c1
Basic Information
| ChEMBL ID | CHEMBL4853799 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZPRGMQRYHUNSMQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
659.6
MW (Da)
6.45
ALogP
8
HBA
4
HBD
165.5
PSA (Ų)
0.07
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| dengue virus type 2 CHEMBL613966 | EC50 | 5.72 | 5.72 | 1900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| dengue virus type 2 | EC50 | = | 1900.0 | nM | 5.72 | Antiviral activity against Dengue virus 2 measured at 48 hrs post-infection | 34298282 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34298282 | 10.1016/j.ejmech.2021.113695 | Genome polyprotein | 1 |
| 34298282 | 10.1016/j.ejmech.2021.113695 | dengue virus type 2 | 1 |
Data from ChEMBL 36 via Core Engine