Compound Detail
CHEMBL4448513
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4448513 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MVGNOIHUGJNWKN-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
379.4
MW (Da)
4.52
ALogP
4
HBA
1
HBD
70.9
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.99
IC50 1 meas. best 6.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| AP2-associated protein kinase 1 CHEMBL3830 | IC50 | 6.42 | 6.42 | 381.0 | 1 |
| dengue virus type 2 CHEMBL613966 | EC50 | 4.99 | 4.99 | 10200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| AP2-associated protein kinase 1 | IC50 | = | 381.0 | nM | 6.42 | Displacement of tracer 222 from GST-tagged recombinant human AAK1 catalytic doma... | 31136173 |
| dengue virus type 2 | EC50 | = | 10200.0 | nM | 4.99 | Antiviral activity against Dengue virus 2 New Guinea C infected in human HuH7 ce... | 31136173 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31136173 | 10.1021/acs.jmedchem.9b00136 | dengue virus type 2 | 2 |
| 31136173 | 10.1021/acs.jmedchem.9b00136 | Huh-7 | 2 |
| 31136173 | 10.1021/acs.jmedchem.9b00136 | AP2-associated protein kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine