Compound Detail
CHEMBL4099677
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Basic Information
| ChEMBL ID | CHEMBL4099677 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZMXZKIHBCFYBTC-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
281.2
MW (Da)
3.55
ALogP
3
HBA
0
HBD
30.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity protein kinase CLK4 CHEMBL1075283 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
| Dual specificity protein kinase CLK1 CHEMBL1075280 | IC50 | 5.55 | 5.55 | 2800.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | IC50 | 5.38 | 5.38 | 4200.0 | 1 |
| Dual specificity protein kinase CLK2 CHEMBL1075281 | IC50 | 5.2 | 5.2 | 6300.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 2 CHEMBL4376 | IC50 | 5.2 | 5.2 | 6300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity protein kinase CLK4 | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of GST tagged recombinant mouse CLK4 expressed in Escherichia coli us... | 27721154 |
| Dual specificity protein kinase CLK1 | IC50 | = | 2800.0 | nM | 5.55 | Inhibition of GST tagged recombinant mouse CLK1 expressed in Escherichia coli us... | 27721154 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 4200.0 | nM | 5.38 | Inhibition of GST tagged recombinant human DYRK1A expressed in Escherichia coli ... | 27721154 |
| Dual specificity protein kinase CLK2 | IC50 | = | 6300.0 | nM | 5.2 | Inhibition of GST tagged recombinant mouse CLK2 expressed in Escherichia coli us... | 27721154 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 2 | IC50 | = | 6300.0 | nM | 5.2 | Inhibition of GST tagged recombinant human DYRK2 expressed in Escherichia coli u... | 27721154 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27721154 | 10.1016/j.ejmech.2016.09.064 | Unchecked | 14 |
| 27721154 | 10.1016/j.ejmech.2016.09.064 | SH-SY5Y | 2 |
| 27721154 | 10.1016/j.ejmech.2016.09.064 | CDK2/Cyclin A2 | 1 |
| 27721154 | 10.1016/j.ejmech.2016.09.064 | Cyclin-dependent kinase 5/CDK5 activator 1 | 1 |
| 27721154 | 10.1016/j.ejmech.2016.09.064 | CDK9/cyclin T1 | 1 |
| 27721154 | 10.1016/j.ejmech.2016.09.064 | Dual specificity protein kinase CLK1 | 1 |
| 27721154 | 10.1016/j.ejmech.2016.09.064 | Dual specificity protein kinase CLK2 | 1 |
| 27721154 | 10.1016/j.ejmech.2016.09.064 | Dual specificity protein kinase CLK3 | 1 |
| 27721154 | 10.1016/j.ejmech.2016.09.064 | Dual specificity protein kinase CLK4 | 1 |
| 27721154 | 10.1016/j.ejmech.2016.09.064 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
| 27721154 | 10.1016/j.ejmech.2016.09.064 | Dual specificity tyrosine-phosphorylation-regulated kinase 1B | 1 |
| 27721154 | 10.1016/j.ejmech.2016.09.064 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 | 1 |
| 27721154 | 10.1016/j.ejmech.2016.09.064 | Dual specificity tyrosine-phosphorylation-regulated kinase 3 | 1 |
Data from ChEMBL 36 via Core Engine