Compound Detail
CHEMBL4790791
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Basic Information
| ChEMBL ID | CHEMBL4790791 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SDHAXXDYIZVWAZ-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
265.3
MW (Da)
2.62
ALogP
5
HBA
1
HBD
72.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homeodomain-interacting protein kinase 2 CHEMBL4576 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
| Dual specificity protein kinase CLK4 CHEMBL4203 | IC50 | 7.35 | 7.35 | 45.0 | 1 |
| Dual specificity protein kinase CLK2 CHEMBL4225 | IC50 | 6.75 | 6.75 | 176.0 | 1 |
| Homeodomain-interacting protein kinase 1 CHEMBL5427 | IC50 | 6.63 | 6.63 | 235.0 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 2 CHEMBL4376 | IC50 | 5.92 | 5.92 | 1214.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homeodomain-interacting protein kinase 2 | IC50 | = | 28.0 | nM | 7.55 | Inhibition of human recombinant HIPK2 using myelin substrate by radiometric scin... | 33636538 |
| Dual specificity protein kinase CLK4 | IC50 | = | 45.0 | nM | 7.35 | Inhibition of human recombinant CLK4 using YRRAAVPPSPSLS substrate by radiometri... | 33636538 |
| Dual specificity protein kinase CLK2 | IC50 | = | 176.0 | nM | 6.75 | Inhibition of human recombinant CLK2 using YRRAAVPPSPSLSR substrate by radiometr... | 33636538 |
| Homeodomain-interacting protein kinase 1 | IC50 | = | 235.0 | nM | 6.63 | Inhibition of human recombinant HIPK1 using myelin substrate by radiometric scin... | 33636538 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 2 | IC50 | = | 1214.0 | nM | 5.92 | Inhibition of human full length recombinant DYRK2 using casein substrate by radi... | 33636538 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33636538 | 10.1016/j.ejmech.2021.113299 | Dual specificity protein kinase CLK2 | 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 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 |
Data from ChEMBL 36 via Core Engine