Compound Detail
CHEMBL519590
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Basic Information
| ChEMBL ID | CHEMBL519590 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FXOKLOPGTMWYLS-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
408.4
MW (Da)
3.31
ALogP
6
HBA
1
HBD
71.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
| Vascular endothelial growth factor receptor 3 CHEMBL1955 | IC50 | 5.5 | 5.5 | 3200.0 | 1 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
| Angiopoietin-1 receptor CHEMBL4128 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
| Focal adhesion kinase 1 CHEMBL2695 | IC50 | 4.46 | 4.46 | 35000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 2300.0 | nM | 5.64 | Inhibition of human recombinant VEGFR2 | 18529047 |
| Vascular endothelial growth factor receptor 3 | IC50 | = | 3200.0 | nM | 5.5 | Inhibition of human recombinant VEGFR3 | 18529047 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 25000.0 | nM | 4.6 | Inhibition of human recombinant FLT3 | 18529047 |
| Angiopoietin-1 receptor | IC50 | = | 25000.0 | nM | 4.6 | Inhibition of human recombinant TIE2 | 18529047 |
| Focal adhesion kinase 1 | IC50 | = | 35000.0 | nM | 4.46 | Inhibition of human recombinant FAK | 18529047 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18529047 | 10.1021/jm8001185 | Focal adhesion kinase 1 | 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 | Angiopoietin-1 receptor | 1 |
| 18529047 | 10.1021/jm8001185 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine