Compound Detail
CHEMBL5170875
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Basic Information
| ChEMBL ID | CHEMBL5170875 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VXJOAFWNSFAWGV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
386.5
MW (Da)
3.64
ALogP
5
HBA
2
HBD
81.4
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | Ki | 6.75 | 6.75 | 177.5 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1B CHEMBL5543 | Ki | 5.96 | 5.96 | 1104.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | Ki | = | 177.5 | nM | 6.75 | Inhibition of human DYRK1A incubated for 90 mins in presence of ATP by Z-LYTE ba... | 35504513 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1B | Ki | = | 1104.5 | nM | 5.96 | Inhibition of human DYRK1B incubated for 130 mins in presence of ATP by ADP-Glo ... | 35504513 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35504513 | 10.1016/j.bmcl.2022.128764 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
| 35504513 | 10.1016/j.bmcl.2022.128764 | Dual specificity tyrosine-phosphorylation-regulated kinase 1B | 1 |
Data from ChEMBL 36 via Core Engine