Compound Detail
CHEMBL4455428
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Basic Information
| ChEMBL ID | CHEMBL4455428 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OAHJKXSYPKSFRP-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
328.4
MW (Da)
4.19
ALogP
3
HBA
2
HBD
70.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.58
Kd 1 meas. best 7.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| AP2-associated protein kinase 1 CHEMBL3830 | Kd | 7.27 | 7.27 | 53.2 | 1 |
| dengue virus type 2 CHEMBL613966 | EC50 | 5.58 | 5.58 | 2600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| AP2-associated protein kinase 1 | Kd | = | 53.2 | nM | 7.27 | Binding affinity to wild type DNA-tagged human AAK1 (G25 to L333 residues) expre... | 31136173 |
| dengue virus type 2 | EC50 | = | 2600.0 | nM | 5.58 | 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 | AP2-associated protein kinase 1 | 2 |
| 31136173 | 10.1021/acs.jmedchem.9b00136 | dengue virus type 2 | 2 |
| 31136173 | 10.1021/acs.jmedchem.9b00136 | Huh-7 | 1 |
Data from ChEMBL 36 via Core Engine