Compound Detail
CHEMBL4777540
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Basic Information
| ChEMBL ID | CHEMBL4777540 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PXEZKQRPUIYVRE-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
343.4
MW (Da)
5.93
ALogP
3
HBA
1
HBD
54.7
PSA (Ų)
0.50
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homeodomain-interacting protein kinase 2 CHEMBL4576 | IC50 | 6.18 | 6.18 | 654.0 | 1 |
| Dual specificity protein kinase CLK4 CHEMBL4203 | IC50 | 6.11 | 6.11 | 776.0 | 1 |
| Dual specificity protein kinase CLK1 CHEMBL4224 | IC50 | 5.67 | 5.67 | 2112.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homeodomain-interacting protein kinase 2 | IC50 | = | 654.0 | nM | 6.18 | Inhibition of human recombinant HIPK2 using myelin substrate by radiometric scin... | 33636538 |
| Dual specificity protein kinase CLK4 | IC50 | = | 776.0 | nM | 6.11 | Inhibition of human recombinant CLK4 using YRRAAVPPSPSLS substrate by radiometri... | 33636538 |
| Dual specificity protein kinase CLK1 | IC50 | = | 2112.0 | nM | 5.67 | Inhibition of human recombinant CLK1 using ERMRPRKRQGSVR substrate by radiometri... | 33636538 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33636538 | 10.1016/j.ejmech.2021.113299 | Dual specificity protein kinase CLK1 | 1 |
| 33636538 | 10.1016/j.ejmech.2021.113299 | Dual specificity protein kinase CLK2 | 1 |
| 33636538 | 10.1016/j.ejmech.2021.113299 | Dual specificity protein kinase CLK3 | 1 |
| 33636538 | 10.1016/j.ejmech.2021.113299 | Dual specificity protein kinase CLK4 | 1 |
| 33636538 | 10.1016/j.ejmech.2021.113299 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 1 |
| 33636538 | 10.1016/j.ejmech.2021.113299 | Dual specificity tyrosine-phosphorylation-regulated kinase 1B | 1 |
| 33636538 | 10.1016/j.ejmech.2021.113299 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 | 1 |
| 33636538 | 10.1016/j.ejmech.2021.113299 | Homeodomain-interacting protein kinase 1 | 1 |
| 33636538 | 10.1016/j.ejmech.2021.113299 | Homeodomain-interacting protein kinase 2 | 1 |
| 33636538 | 10.1016/j.ejmech.2021.113299 | Homeodomain-interacting protein kinase 3 | 1 |
Data from ChEMBL 36 via Core Engine