Compound Detail
CHEMBL458531
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Basic Information
| ChEMBL ID | CHEMBL458531 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BWOICBFNIQMBIO-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
428.4
MW (Da)
5.57
ALogP
5
HBA
2
HBD
66.9
PSA (Ų)
0.44
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.96 | 6.685 | 110.0 | 2 |
| Vascular endothelial growth factor receptor 1 CHEMBL1868 | IC50 | 6.24 | 6.24 | 580.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 110.0 | nM | 6.96 | Inhibition of VEGFR2 assessed as blockade of pGAT-biotin phosphorylation in pres... | 19124243 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 390.0 | nM | 6.41 | Inhibition of VEGFR2 expressed in HEK293 cells assessed as inhibition of recepto... | 19124243 |
| Vascular endothelial growth factor receptor 1 | IC50 | = | 580.0 | nM | 6.24 | Inhibition of VEGFR1 assessed as blockade of pGAT-biotin phosphorylation in pres... | 19124243 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19124243 | 10.1016/j.bmcl.2008.12.078 | Unchecked | 2 |
| 19124243 | 10.1016/j.bmcl.2008.12.078 | Vascular endothelial growth factor receptor 2 | 2 |
| 19124243 | 10.1016/j.bmcl.2008.12.078 | Macrophage-stimulating protein receptor | 1 |
| 19124243 | 10.1016/j.bmcl.2008.12.078 | Serine/threonine-protein kinase PLK1 | 1 |
| 19124243 | 10.1016/j.bmcl.2008.12.078 | Aurora kinase B | 1 |
| 19124243 | 10.1016/j.bmcl.2008.12.078 | Aurora kinase A | 1 |
| 19124243 | 10.1016/j.bmcl.2008.12.078 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 19124243 | 10.1016/j.bmcl.2008.12.078 | Cyclin-dependent kinase 2 | 1 |
| 19124243 | 10.1016/j.bmcl.2008.12.078 | Cyclin-dependent kinase 1 | 1 |
| 19124243 | 10.1016/j.bmcl.2008.12.078 | Bcr/Abl fusion protein | 1 |
| 19124243 | 10.1016/j.bmcl.2008.12.078 | Glycogen synthase kinase-3 beta | 1 |
| 19124243 | 10.1016/j.bmcl.2008.12.078 | Hepatocyte growth factor receptor | 1 |
| 19124243 | 10.1016/j.bmcl.2008.12.078 | Receptor tyrosine-protein kinase erbB-2 | 1 |
| 19124243 | 10.1016/j.bmcl.2008.12.078 | Epidermal growth factor receptor | 1 |
| 19124243 | 10.1016/j.bmcl.2008.12.078 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 19124243 | 10.1016/j.bmcl.2008.12.078 | Fibroblast growth factor receptor 1 | 1 |
| 19124243 | 10.1016/j.bmcl.2008.12.078 | Insulin receptor | 1 |
| 19124243 | 10.1016/j.bmcl.2008.12.078 | Insulin-like growth factor 1 receptor | 1 |
| 19124243 | 10.1016/j.bmcl.2008.12.078 | Caco-2 | 1 |
| 19124243 | 10.1016/j.bmcl.2008.12.078 | Vascular endothelial growth factor receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine