Compound Detail
CHEMBL4072138
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Basic Information
| ChEMBL ID | CHEMBL4072138 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LPPPZXSRJDORKH-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
235.2
MW (Da)
2.08
ALogP
4
HBA
2
HBD
91.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.86
EC50 1 meas. best 4.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | IC50 | 6.86 | 6.86 | 138.0 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 5.29 | 5.29 | 5160.0 | 1 |
| Nuclear factor of activated T-cells, cytoplasmic 1 CHEMBL3876 | EC50 | 4.66 | 4.66 | 21700.0 | 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 | = | 138.0 | nM | 6.86 | Inhibition of full-length recombinant human GST-tagged Dyrk1a expressed in bacul... | 28408219 |
| Glycogen synthase kinase-3 beta | IC50 | = | 5160.0 | nM | 5.29 | Inhibition of full-length recombinant human His-tagged GSK3B recombinant in bacu... | 28408219 |
| Nuclear factor of activated T-cells, cytoplasmic 1 | EC50 | = | 21700.0 | nM | 4.66 | 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 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
| 28408219 | 10.1016/j.bmcl.2017.03.037 | Nuclear factor of activated T-cells, cytoplasmic 1 | 1 |
Data from ChEMBL 36 via Core Engine