Compound Detail
CHEMBL522629
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Basic Information
| ChEMBL ID | CHEMBL522629 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KDXAPWKBYAQWBD-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
19
Publications
0
Known Names
Molecular Properties
361.8
MW (Da)
4.59
ALogP
5
HBA
1
HBD
55.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.06
Ki 2 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.06 | 6.93 | 87.0 | 2 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | Ki | 6.96 | 6.94 | 110.0 | 2 |
| Vascular endothelial growth factor receptor 1 CHEMBL1868 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 87.0 | nM | 7.06 | Inhibition of VEGFR2 by HTRF assay in presence of 2 uM ATP | 19188066 |
| Vascular endothelial growth factor receptor 2 | Ki | = | 110.0 | nM | 6.96 | Binding affinity to VEGFR2 at IC90 in presence of ATP | 19188066 |
| Vascular endothelial growth factor receptor 2 | Ki | = | 120.0 | nM | 6.92 | Binding affinity to VEGFR2 at IC50 in presence of ATP | 19188066 |
| Vascular endothelial growth factor receptor 1 | IC50 | = | 130.0 | nM | 6.89 | Inhibition of VEGFR1 by HTRF assay | 19188066 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 160.0 | nM | 6.8 | Inhibition of VEGF-induced phosphorylation of VEGFR2 by cell-based ELISA | 19188066 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19188066 | 10.1016/j.bmcl.2009.01.046 | Vascular endothelial growth factor receptor 2 | 4 |
| 19188066 | 10.1016/j.bmcl.2009.01.046 | Unchecked | 2 |
| 19188066 | 10.1016/j.bmcl.2009.01.046 | Aurora kinase B | 1 |
| 19188066 | 10.1016/j.bmcl.2009.01.046 | Receptor tyrosine-protein kinase erbB-2 | 1 |
| 19188066 | 10.1016/j.bmcl.2009.01.046 | Epidermal growth factor receptor | 1 |
| 19188066 | 10.1016/j.bmcl.2009.01.046 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 19188066 | 10.1016/j.bmcl.2009.01.046 | Fibroblast growth factor receptor 1 | 1 |
| 19188066 | 10.1016/j.bmcl.2009.01.046 | Insulin receptor | 1 |
| 19188066 | 10.1016/j.bmcl.2009.01.046 | Insulin-like growth factor 1 receptor | 1 |
| 19188066 | 10.1016/j.bmcl.2009.01.046 | Vascular endothelial growth factor receptor 1 | 1 |
| 19188066 | 10.1016/j.bmcl.2009.01.046 | Serine/threonine-protein kinase PLK1 | 1 |
| 19188066 | 10.1016/j.bmcl.2009.01.046 | Hepatocyte growth factor receptor | 1 |
| 19188066 | 10.1016/j.bmcl.2009.01.046 | Aurora kinase A | 1 |
| 19188066 | 10.1016/j.bmcl.2009.01.046 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 19188066 | 10.1016/j.bmcl.2009.01.046 | Cyclin-dependent kinase 2 | 1 |
| 19188066 | 10.1016/j.bmcl.2009.01.046 | Cyclin-dependent kinase 1 | 1 |
| 19188066 | 10.1016/j.bmcl.2009.01.046 | Bcr/Abl fusion protein | 1 |
| 19188066 | 10.1016/j.bmcl.2009.01.046 | Glycogen synthase kinase-3 beta | 1 |
| 19188066 | 10.1016/j.bmcl.2009.01.046 | Macrophage-stimulating protein receptor | 1 |
Data from ChEMBL 36 via Core Engine