Compound Detail
CHEMBL205502
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Basic Information
| ChEMBL ID | CHEMBL205502 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BJGRIFQHDVCHMB-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
443.8
MW (Da)
5.22
ALogP
7
HBA
1
HBD
86.0
PSA (Ų)
0.37
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.51
Ki 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.51 | 7.435 | 31.0 | 2 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | Ki | 7.0 | 7.0 | 100.0 | 1 |
| Vascular endothelial growth factor receptor 1 CHEMBL1868 | IC50 | 6.14 | 6.14 | 730.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 31.0 | nM | 7.51 | Inhibition of VEGFR2 phosphorylation in presence of 2 uM ATP by HTRF assay | 16460936 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 44.0 | nM | 7.36 | Inhibition of VEGFR2 phosphorylation in HEK293 cells by cell-based ELISA | 16460936 |
| Vascular endothelial growth factor receptor 2 | Ki | = | 100.0 | nM | 7.0 | Binding affinity to VEGFR2 at 0.031 uM | 16460936 |
| Vascular endothelial growth factor receptor 1 | IC50 | = | 730.0 | nM | 6.14 | Inhibition of VEGFR1 phosphorylation in presence of 2 uM ATP by HTRF assay | 16460936 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16460936 | 10.1016/j.bmcl.2005.12.090 | Vascular endothelial growth factor receptor 2 | 3 |
| 16460936 | 10.1016/j.bmcl.2005.12.090 | Vascular endothelial growth factor receptor 1 | 1 |
| 16460936 | 10.1016/j.bmcl.2005.12.090 | Caco-2 | 1 |
| 16460936 | 10.1016/j.bmcl.2005.12.090 | Bcr/Abl fusion protein | 1 |
| 16460936 | 10.1016/j.bmcl.2005.12.090 | Cyclin-dependent kinase 2 | 1 |
| 16460936 | 10.1016/j.bmcl.2005.12.090 | Cyclin-dependent kinase 5 | 1 |
Data from ChEMBL 36 via Core Engine