Compound Detail
CHEMBL3884250
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Basic Information
| ChEMBL ID | CHEMBL3884250 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DSISPBFCWKLZEA-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
273.3
MW (Da)
3.75
ALogP
3
HBA
1
HBD
61.7
PSA (Ų)
0.57
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity protein kinase CLK4 CHEMBL4203 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Dual specificity protein kinase CLK1 CHEMBL4224 | IC50 | 6.21 | 6.21 | 620.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | IC50 | 6.07 | 6.07 | 850.0 | 1 |
| Dual specificity protein kinase CLK2 CHEMBL4225 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity protein kinase CLK4 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of GST-tagged human recombinant CLK4 expressed in Escherichia coli us... | 27676471 |
| Dual specificity protein kinase CLK1 | IC50 | = | 620.0 | nM | 6.21 | Inhibition of GST-tagged human recombinant CLK1 expressed in Escherichia coli us... | 27676471 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 850.0 | nM | 6.07 | Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli ... | 27676471 |
| Dual specificity protein kinase CLK2 | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of GST-tagged human recombinant CLK2 expressed in Escherichia coli us... | 27676471 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27676471 | 10.1016/j.ejmech.2016.08.069 | Unchecked | 1 |
| 27676471 | 10.1016/j.ejmech.2016.08.069 | Cyclin-dependent kinase 5/CDK5 activator 1 | 1 |
| 27676471 | 10.1016/j.ejmech.2016.08.069 | Glycogen synthase kinase-3 | 1 |
| 27676471 | 10.1016/j.ejmech.2016.08.069 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
| 27676471 | 10.1016/j.ejmech.2016.08.069 | Dual specificity protein kinase CLK1 | 1 |
| 27676471 | 10.1016/j.ejmech.2016.08.069 | Dual specificity tyrosine-phosphorylation-regulated kinase 1B | 1 |
| 27676471 | 10.1016/j.ejmech.2016.08.069 | Dual specificity protein kinase CLK2 | 1 |
| 27676471 | 10.1016/j.ejmech.2016.08.069 | Dual specificity protein kinase CLK3 | 1 |
| 27676471 | 10.1016/j.ejmech.2016.08.069 | Dual specificity protein kinase CLK4 | 1 |
| 27676471 | 10.1016/j.ejmech.2016.08.069 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine