Compound Detail
CHEMBL4080844
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Basic Information
| ChEMBL ID | CHEMBL4080844 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GWGKDCYRVAQDDJ-LFAOLKIESA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
376.4
MW (Da)
4.10
ALogP
5
HBA
2
HBD
62.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity protein kinase CLK4 CHEMBL1075283 | IC50 | 6.39 | 6.39 | 410.0 | 1 |
| Dual specificity protein kinase CLK1 CHEMBL1075280 | IC50 | 6.1 | 6.1 | 790.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
| CDK9/cyclin T1 CHEMBL2111389 | IC50 | 5.43 | 5.43 | 3700.0 | 1 |
| Dual specificity protein kinase CLK2 CHEMBL1075281 | IC50 | 5.04 | 5.04 | 9100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity protein kinase CLK4 | IC50 | = | 410.0 | nM | 6.39 | Inhibition of GST tagged recombinant mouse CLK4 expressed in Escherichia coli us... | 27721154 |
| Dual specificity protein kinase CLK1 | IC50 | = | 790.0 | nM | 6.1 | Inhibition of GST tagged recombinant mouse CLK1 expressed in Escherichia coli us... | 27721154 |
| Unchecked | IC50 | = | 2200.0 | nM | 5.66 | Inhibition of recombinant Leishmania donovani DYRK3 expressed in Escherichia col... | 27721154 |
| CDK9/cyclin T1 | IC50 | = | 3700.0 | nM | 5.43 | Inhibition of human recombinant CDK9/cyclin T expressed in insect cells using CD... | 27721154 |
| Dual specificity protein kinase CLK2 | IC50 | = | 9100.0 | nM | 5.04 | Inhibition of GST tagged recombinant mouse CLK2 expressed in Escherichia coli us... | 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 | Leishmania amazonensis | 3 |
| 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