Compound Detail
CHEMBL4170643
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Basic Information
| ChEMBL ID | CHEMBL4170643 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DLXISWMEXCHAGG-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
368.5
MW (Da)
3.32
ALogP
7
HBA
1
HBD
73.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.56
Kd 1 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-G-associated kinase CHEMBL4355 | Kd | 7.21 | 7.21 | 61.0 | 1 |
| dengue virus type 2 CHEMBL613966 | EC50 | 5.56 | 5.56 | 2735.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-G-associated kinase | Kd | = | 61.0 | nM | 7.21 | Binding affinity to DNA-tagged human GAK expressed in Escherichia coli BL21 usin... | 29953812 |
| dengue virus type 2 | EC50 | = | 2735.0 | nM | 5.56 | Antiviral activity against DENV2 New Guinea C infected in human HuH7 cells after... | 29953812 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29953812 | 10.1021/acs.jmedchem.8b00613 | dengue virus type 2 | 2 |
| 29953812 | 10.1021/acs.jmedchem.8b00613 | Huh-7 | 1 |
| 29953812 | 10.1021/acs.jmedchem.8b00613 | Cyclin-G-associated kinase | 1 |
Data from ChEMBL 36 via Core Engine