Compound Detail
CHEMBL4163801
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Basic Information
| ChEMBL ID | CHEMBL4163801 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HCKOHFRTFNXAFI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
356.4
MW (Da)
3.54
ALogP
7
HBA
2
HBD
82.3
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-G-associated kinase CHEMBL4355 | Kd | 7.1 | 7.1 | 80.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-G-associated kinase | Kd | = | 80.0 | nM | 7.1 | Binding affinity to DNA-tagged human GAK expressed in Escherichia coli BL21 usin... | 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 | Cyclin-G-associated kinase | 1 |
| 29953812 | 10.1021/acs.jmedchem.8b00613 | Huh-7 | 1 |
Data from ChEMBL 36 via Core Engine