Compound Detail
CHEMBL2023800
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Basic Information
| ChEMBL ID | CHEMBL2023800 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HPPAKEIARRFUBB-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
433.5
MW (Da)
3.84
ALogP
8
HBA
1
HBD
100.4
PSA (Ų)
0.45
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-derived growth factor receptor beta CHEMBL1913 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.61 | 6.61 | 245.0 | 1 |
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-derived growth factor receptor beta | IC50 | = | 3.0 | nM | 8.52 | Inhibition of PDGFRbeta | 22497760 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 40.0 | nM | 7.4 | Inhibition of Flt3 | 22497760 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 245.0 | nM | 6.61 | Inhibition of KDR | 22497760 |
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 300.0 | nM | 6.52 | Inhibition of CSF-1R | 22497760 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22497760 | 10.1016/j.bmcl.2012.03.074 | Platelet-derived growth factor receptor beta | 1 |
| 22497760 | 10.1016/j.bmcl.2012.03.074 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 22497760 | 10.1016/j.bmcl.2012.03.074 | Vascular endothelial growth factor receptor 2 | 1 |
| 22497760 | 10.1016/j.bmcl.2012.03.074 | Macrophage colony-stimulating factor 1 receptor | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine