Compound Detail
CHEMBL5415554
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Basic Information
| ChEMBL ID | CHEMBL5415554 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CUXJJQQRHNRQEY-GESOSKEOSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
355.4
MW (Da)
2.38
ALogP
5
HBA
2
HBD
82.6
PSA (Ų)
0.78
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1B CHEMBL5543 | IC50 | 6.87 | 6.87 | 133.8 | 1 |
| Dual specificity protein kinase CLK4 CHEMBL4203 | IC50 | 6.78 | 6.78 | 165.6 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | IC50 | 6.71 | 6.71 | 196.1 | 1 |
| Dual specificity protein kinase CLK1 CHEMBL4224 | IC50 | 6.56 | 6.56 | 275.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity tyrosine-phosphorylation-regulated kinase 1B | IC50 | = | 133.8 | nM | 6.87 | Inhibition of human DYRK1B assessed as incorporation of 33Pi using [gamma-33P]-A... | 38051674 |
| Dual specificity protein kinase CLK4 | IC50 | = | 165.6 | nM | 6.78 | Inhibition of human CLK4 assessed as incorporation of 33Pi using [gamma-33P]-ATP... | 38051674 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A | IC50 | = | 196.1 | nM | 6.71 | Inhibition of human DYRK1A assessed as incorporation of 33Pi using [gamma-33P]-A... | 38051674 |
| Dual specificity protein kinase CLK1 | IC50 | = | 275.4 | nM | 6.56 | Inhibition of human CLK1 assessed as incorporation of 33Pi using [gamma-33P]-ATP... | 38051674 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38051674 | 10.1021/acs.jmedchem.3c01888 | Dual specificity protein kinase CLK1 | 1 |
| 38051674 | 10.1021/acs.jmedchem.3c01888 | Dual specificity protein kinase CLK4 | 1 |
| 38051674 | 10.1021/acs.jmedchem.3c01888 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
| 38051674 | 10.1021/acs.jmedchem.3c01888 | Dual specificity tyrosine-phosphorylation-regulated kinase 1B | 1 |
Data from ChEMBL 36 via Core Engine