Compound Detail
CHEMBL4752943
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Basic Information
| ChEMBL ID | CHEMBL4752943 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CUOOWOPCQJQWDH-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
328.3
MW (Da)
4.14
ALogP
5
HBA
1
HBD
52.6
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.39
Kd 1 meas. best 7.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-G-associated kinase CHEMBL4355 | Kd | 7.12 | 7.12 | 76.0 | 1 |
| dengue virus type 2 CHEMBL613966 | EC50 | 5.39 | 5.39 | 4100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-G-associated kinase | Kd | = | 76.0 | nM | 7.12 | Binding affinity to human wild type partial length GAK (G13 to Y338 residues) ex... | 31129055 |
| dengue virus type 2 | EC50 | = | 4100.0 | nM | 5.39 | Antiviral activity against DENV2 New Guinea C strain infected in Huh7 cells afte... | 32631507 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31129055 | 10.1016/j.bmcl.2019.05.025 | Cyclin-G-associated kinase | 1 |
| 32631507 | 10.1016/j.bmcl.2020.127284 | dengue virus type 2 | 1 |
| 32631507 | 10.1016/j.bmcl.2020.127284 | Huh-7 | 1 |
Data from ChEMBL 36 via Core Engine