Compound Detail
CHEMBL453593
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Basic Information
| ChEMBL ID | CHEMBL453593 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XEPJRQDBXHUPBR-UHFFFAOYSA-N |
8
Targets
8
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
438.5
MW (Da)
2.06
ALogP
7
HBA
3
HBD
102.2
PSA (Ų)
0.50
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 3 CHEMBL1955 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 5.38 | 5.38 | 4200.0 | 1 |
| Serine/threonine-protein kinase PLK4 CHEMBL3788 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
| Angiopoietin-1 receptor CHEMBL4128 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
| NUAK family SNF1-like kinase 1 CHEMBL5784 | IC50 | 4.47 | 4.47 | 34000.0 | 1 |
| Platelet-derived growth factor receptor beta CHEMBL1913 | IC50 | 4.4 | 4.4 | 40000.0 | 1 |
| Aurora kinase A CHEMBL4722 | IC50 | 4.33 | 4.33 | 47000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 3 | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of human recombinant VEGFR3 | 18529047 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of human recombinant FLT3 | 18529047 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 4200.0 | nM | 5.38 | Inhibition of human recombinant VEGFR2 | 18529047 |
| Serine/threonine-protein kinase PLK4 | IC50 | = | 16000.0 | nM | 4.8 | Inhibition of human recombinant SAK | 18529047 |
| Angiopoietin-1 receptor | IC50 | = | 25000.0 | nM | 4.6 | Inhibition of human recombinant TIE2 | 18529047 |
| NUAK family SNF1-like kinase 1 | IC50 | = | 34000.0 | nM | 4.47 | Inhibition of human recombinant ARK5 | 18529047 |
| Platelet-derived growth factor receptor beta | IC50 | = | 40000.0 | nM | 4.4 | Inhibition of human recombinant PDGFRbeta | 18529047 |
| Aurora kinase A | IC50 | = | 47000.0 | nM | 4.33 | Inhibition of human recombinant Aurora A | 18529047 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18529047 | 10.1021/jm8001185 | NUAK family SNF1-like kinase 1 | 1 |
| 18529047 | 10.1021/jm8001185 | Aurora kinase A | 1 |
| 18529047 | 10.1021/jm8001185 | Vascular endothelial growth factor receptor 2 | 1 |
| 18529047 | 10.1021/jm8001185 | Vascular endothelial growth factor receptor 3 | 1 |
| 18529047 | 10.1021/jm8001185 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 18529047 | 10.1021/jm8001185 | Platelet-derived growth factor receptor beta | 1 |
| 18529047 | 10.1021/jm8001185 | Serine/threonine-protein kinase PLK4 | 1 |
| 18529047 | 10.1021/jm8001185 | Angiopoietin-1 receptor | 1 |
Data from ChEMBL 36 via Core Engine