Compound Detail
CHEMBL3763180
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Basic Information
| ChEMBL ID | CHEMBL3763180 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZETAJQOBMADIKR-ZZXKWVIFSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
377.1
MW (Da)
5.47
ALogP
2
HBA
1
HBD
29.1
PSA (Ų)
0.71
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| dengue virus type 3 CHEMBL612717 | EC50 | 7.4 | 7.4 | 40.0 | 1 |
| dengue virus type 1 CHEMBL613360 | EC50 | 7.4 | 7.4 | 40.0 | 1 |
| dengue virus type 4 CHEMBL613728 | EC50 | 7.4 | 7.4 | 40.0 | 1 |
| dengue virus type 2 CHEMBL613966 | EC50 | 7.4 | 7.4 | 40.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| dengue virus type 1 | EC50 | = | 40.0 | nM | 7.4 | Antiviral activity against clinical isolates of Dengue virus 1 | 26774922 |
| dengue virus type 2 | EC50 | = | 40.0 | nM | 7.4 | Antiviral activity against clinical isolates of Dengue virus 2 | 26774922 |
| dengue virus type 3 | EC50 | = | 40.0 | nM | 7.4 | Antiviral activity against clinical isolates of Dengue virus 3 | 26774922 |
| dengue virus type 4 | EC50 | = | 40.0 | nM | 7.4 | Antiviral activity against clinical isolates of Dengue virus 4 | 26774922 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26774922 | 10.1016/j.ejmech.2015.12.046 | dengue virus type 1 | 1 |
| 26774922 | 10.1016/j.ejmech.2015.12.046 | dengue virus type 2 | 1 |
| 26774922 | 10.1016/j.ejmech.2015.12.046 | dengue virus type 3 | 1 |
| 26774922 | 10.1016/j.ejmech.2015.12.046 | dengue virus type 4 | 1 |
Data from ChEMBL 36 via Core Engine