Compound Detail
CHEMBL3589667
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Basic Information
| ChEMBL ID | CHEMBL3589667 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NNSGCMOBDRALMM-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
418.2
MW (Da)
4.18
ALogP
3
HBA
2
HBD
75.2
PSA (Ų)
0.48
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | IC50 | 7.66 | 7.66 | 22.0 | 1 |
| Dual specificity protein kinase CLK1 CHEMBL1075280 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Dual specificity protein kinase CLK4 CHEMBL1075283 | IC50 | 5.64 | 5.64 | 2300.0 | 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 | = | 22.0 | nM | 7.66 | Inhibition of human recombinant DYRK1A expressed in Escherichia coli using RS pe... | 25730262 |
| Dual specificity protein kinase CLK1 | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of mouse recombinant CLK1 expressed in Escherichia coli using RS pept... | 25730262 |
| Dual specificity protein kinase CLK4 | IC50 | = | 2300.0 | nM | 5.64 | Inhibition of mouse recombinant CLK4 expressed in Escherichia coli using RS pept... | 25730262 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25730262 | 10.1021/jm501994d | Unchecked | 3 |
| 25730262 | 10.1021/jm501994d | Cyclin-dependent kinase 2 | 1 |
| 25730262 | 10.1021/jm501994d | Cyclin-dependent kinase 5 | 1 |
| 25730262 | 10.1021/jm501994d | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
| 25730262 | 10.1021/jm501994d | Cyclin-dependent kinase 9 | 1 |
| 25730262 | 10.1021/jm501994d | Dual specificity protein kinase CLK1 | 1 |
| 25730262 | 10.1021/jm501994d | Dual specificity protein kinase CLK2 | 1 |
| 25730262 | 10.1021/jm501994d | Dual specificity protein kinase CLK3 | 1 |
| 25730262 | 10.1021/jm501994d | Dual specificity protein kinase CLK4 | 1 |
| 25730262 | 10.1021/jm501994d | Dual specificity tyrosine-phosphorylation-regulated kinase 1B | 1 |
| 25730262 | 10.1021/jm501994d | Dual specificity tyrosine-phosphorylation-regulated kinase 2 | 1 |
| 25730262 | 10.1021/jm501994d | Dual specificity tyrosine-phosphorylation-regulated kinase 3 | 1 |
Data from ChEMBL 36 via Core Engine