Compound Detail
CHEMBL4105629
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Basic Information
| ChEMBL ID | CHEMBL4105629 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BQHLLYYLOWNJKJ-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
263.3
MW (Da)
3.90
ALogP
3
HBA
0
HBD
30.7
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.1
EC50 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 5.94 | 5.94 | 1140.0 | 1 |
| Nuclear factor of activated T-cells, cytoplasmic 1 CHEMBL3876 | EC50 | 5.8 | 5.8 | 1590.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 8.0 | nM | 8.1 | Inhibition of full-length recombinant human GST-tagged Dyrk1a expressed in bacul... | 28408219 |
| Glycogen synthase kinase-3 beta | IC50 | = | 1140.0 | nM | 5.94 | Inhibition of full-length recombinant human His-tagged GSK3B recombinant in bacu... | 28408219 |
| Nuclear factor of activated T-cells, cytoplasmic 1 | EC50 | = | 1590.0 | nM | 5.8 | Induction of nuclear translocation of human GFP-tagged NFATc1 expressed in virus... | 28408219 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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