Compound Detail
CHEMBL3421979
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Basic Information
| ChEMBL ID | CHEMBL3421979 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VAXXXDBEUYQWBN-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
210.2
MW (Da)
2.33
ALogP
3
HBA
1
HBD
54.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1B CHEMBL5543 | IC50 | 7.77 | 6.64 | 17.0 | 2 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 4.42 | 4.42 | 38379.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1B | IC50 | = | 17.0 | nM | 7.77 | Inhibition of recombinant Dyrk1B (unknown origin) using FITC-Asp-His-Thr-Gly-Phe... | 25738750 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 19.0 | nM | 7.72 | Inhibition of full-length recombinant human GST-tagged Dyrk1a expressed in bacul... | 28408219 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1B | IC50 | = | 3069.0 | nM | 5.51 | Inhibition of human full length C-terminal c-Myc tagged Dyrk1B phosphorylation o... | 25738750 |
| Cyclin-dependent kinase 2 | IC50 | = | 38379.0 | nM | 4.42 | Inhibition of human recombinant full length C-terminal His6-tagged CDK2 expresse... | 25738750 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25738750 | 10.1021/acs.jmedchem.5b00098 | Dual specificity tyrosine-phosphorylation-regulated kinase 1B | 2 |
| 25738750 | 10.1021/acs.jmedchem.5b00098 | Insulin-like growth factor 1 receptor | 1 |
| 25738750 | 10.1021/acs.jmedchem.5b00098 | Cyclin-dependent kinase 2 | 1 |
| 28408219 | 10.1016/j.bmcl.2017.03.037 | Glycogen synthase kinase-3 beta | 1 |
| 28408219 | 10.1016/j.bmcl.2017.03.037 | Nuclear factor of activated T-cells, cytoplasmic 1 | 1 |
| 28408219 | 10.1016/j.bmcl.2017.03.037 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
Data from ChEMBL 36 via Core Engine