Compound Detail
CHEMBL4469548
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Basic Information
| ChEMBL ID | CHEMBL4469548 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AFSMATXVFRYMQB-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
408.5
MW (Da)
5.08
ALogP
6
HBA
4
HBD
98.8
PSA (Ų)
0.31
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| dengue virus type 3 CHEMBL612717 | EC50 | 5.86 | 5.86 | 1380.0 | 1 |
| dengue virus type 1 CHEMBL613360 | EC50 | 5.86 | 5.86 | 1380.0 | 1 |
| dengue virus type 4 CHEMBL613728 | EC50 | 5.86 | 5.86 | 1380.0 | 1 |
| dengue virus type 2 CHEMBL613966 | EC50 | 5.55 | 5.55 | 2800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| dengue virus type 1 | EC50 | = | 1380.0 | nM | 5.86 | Antiviral activity against DENV1 | 31128447 |
| dengue virus type 3 | EC50 | = | 1380.0 | nM | 5.86 | Antiviral activity against DENV3 | 31128447 |
| dengue virus type 4 | EC50 | = | 1380.0 | nM | 5.86 | Antiviral activity against DENV4 | 31128447 |
| dengue virus type 2 | EC50 | = | 2800.0 | nM | 5.55 | Antiviral activity against DENV2 | 31128447 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31128447 | 10.1016/j.ejmech.2019.05.010 | dengue virus type 2 | 1 |
| 31128447 | 10.1016/j.ejmech.2019.05.010 | dengue virus type 1 | 1 |
| 31128447 | 10.1016/j.ejmech.2019.05.010 | dengue virus type 3 | 1 |
| 31128447 | 10.1016/j.ejmech.2019.05.010 | dengue virus type 4 | 1 |
Data from ChEMBL 36 via Core Engine