Compound Detail
CHEMBL4778276
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Basic Information
| ChEMBL ID | CHEMBL4778276 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RKKXNLSIYBRUEL-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
461.6
MW (Da)
4.48
ALogP
7
HBA
2
HBD
102.6
PSA (Ų)
0.43
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.1
IC50 1 meas. best 8.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-G-associated kinase CHEMBL4355 | IC50 | 8.49 | 8.49 | 3.2 | 1 |
| dengue virus type 2 CHEMBL613966 | EC50 | 5.1 | 5.1 | 7900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-G-associated kinase | IC50 | = | 3.2 | nM | 8.49 | Inhibition of tracer 222 binding to GAK (unknown origin) incubated for 1 hr by L... | 33497888 |
| dengue virus type 2 | EC50 | = | 7900.0 | nM | 5.1 | Antiviral activity against DENV-2 New Guinea C infected in human Huh-7 cells pre... | 33497888 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33497888 | 10.1016/j.ejmech.2021.113158 | Cyclin-G-associated kinase | 1 |
| 33497888 | 10.1016/j.ejmech.2021.113158 | dengue virus type 2 | 1 |
| 33497888 | 10.1016/j.ejmech.2021.113158 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine