Compound Detail
CHEMBL4642467
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 | CHEMBL4642467 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BVEGTKGHXUUTRR-BETUJISGSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
385.5
MW (Da)
3.99
ALogP
7
HBA
0
HBD
56.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.0
IC50 2 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-G-associated kinase CHEMBL4355 | IC50 | 7.62 | 7.62 | 24.0 | 2 |
| Dengue virus CHEMBL613757 | EC50 | 6.0 | 6.0 | 1000.0 | 1 |
| dengue virus type 2 CHEMBL613966 | EC50 | 5.98 | 5.98 | 1049.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-G-associated kinase | IC50 | = | 24.0 | nM | 7.62 | Inhibition of tracer 222 binding to recombinant human GST-tagged GAK (1 to 329 r... | 31757682 |
| Cyclin-G-associated kinase | IC50 | = | 24.0 | nM | 7.62 | Inhibition of GAK (unknown origin) | 33539089 |
| Dengue virus | EC50 | = | 1000.0 | nM | 6.0 | Antiviral activity against DENV | 33539089 |
| dengue virus type 2 | EC50 | = | 1049.0 | nM | 5.98 | Antiviral activity against Dengue virus 2 infected in human HuH7 cells incubated... | 31757682 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31757682 | 10.1016/j.bmc.2019.115188 | Cyclin-G-associated kinase | 1 |
| 31757682 | 10.1016/j.bmc.2019.115188 | dengue virus type 2 | 1 |
| 31757682 | 10.1016/j.bmc.2019.115188 | Huh-7 | 1 |
| 33539089 | 10.1021/acs.jmedchem.0c01467 | Cyclin-G-associated kinase | 1 |
| 33539089 | 10.1021/acs.jmedchem.0c01467 | Huh7.5.1 | 1 |
| 33539089 | 10.1021/acs.jmedchem.0c01467 | Dengue virus | 1 |
Data from ChEMBL 36 via Core Engine