Compound Detail
CHEMBL202244
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Basic Information
| ChEMBL ID | CHEMBL202244 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MPRJXIBHCLPEPI-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
469.5
MW (Da)
4.62
ALogP
7
HBA
0
HBD
86.0
PSA (Ų)
0.35
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A-431 CHEMBL614069 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 5.26 | 5.26 | 5500.0 | 1 |
| Platelet-derived growth factor receptor beta CHEMBL1913 | IC50 | 5.06 | 5.06 | 8700.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 4.62 | 4.62 | 23800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A-431 | IC50 | = | 1100.0 | nM | 5.96 | Cytotoxicity against lung cancer A431 cell line | 16321529 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 5500.0 | nM | 5.26 | Inhibitory activity against VEGFR2 kinase | 16321529 |
| Platelet-derived growth factor receptor beta | IC50 | = | 8700.0 | nM | 5.06 | Inhibitory activity against PDGFRbeta kinase | 16321529 |
| Epidermal growth factor receptor | IC50 | = | 9000.0 | nM | 5.05 | Inhibitory activity against EGFR kinase | 16321529 |
| Fibroblast growth factor receptor 1 | IC50 | = | 23800.0 | nM | 4.62 | Inhibitory activity against FGFR1 kinase | 16321529 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16321529 | 10.1016/j.bmcl.2005.08.115 | Epidermal growth factor receptor | 2 |
| 16321529 | 10.1016/j.bmcl.2005.08.115 | Vascular endothelial growth factor receptor 2 | 2 |
| 16321529 | 10.1016/j.bmcl.2005.08.115 | Fibroblast growth factor receptor 1 | 2 |
| 16321529 | 10.1016/j.bmcl.2005.08.115 | Platelet-derived growth factor receptor beta | 2 |
| 16321529 | 10.1016/j.bmcl.2005.08.115 | A-431 | 1 |
Data from ChEMBL 36 via Core Engine