Compound Detail
CHEMBL213504
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Basic Information
| ChEMBL ID | CHEMBL213504 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KIXJPVWFCZCXOL-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
430.4
MW (Da)
5.00
ALogP
6
HBA
3
HBD
105.8
PSA (Ų)
0.42
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 8.4 | 8.35 | 4.0 | 2 |
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
| Angiopoietin-1 receptor CHEMBL4128 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
| Vascular endothelial growth factor receptor 1 CHEMBL1868 | IC50 | 7.41 | 7.41 | 39.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 4.0 | nM | 8.4 | Inhibition of KDR | 16735117 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 5.0 | nM | 8.3 | Inhibition of KDR by cellular assay | 16735117 |
| Mast/stem cell growth factor receptor Kit | IC50 | = | 18.0 | nM | 7.75 | Inhibition of CKIT | 16735117 |
| Angiopoietin-1 receptor | IC50 | = | 28.0 | nM | 7.55 | Inhibition of TIE2 | 16735117 |
| Vascular endothelial growth factor receptor 1 | IC50 | = | 39.0 | nM | 7.41 | Inhibition of FLT1 | 16735117 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16735117 | 10.1016/j.bmcl.2006.05.057 | Vascular endothelial growth factor receptor 2 | 2 |
| 16735117 | 10.1016/j.bmcl.2006.05.057 | Mast/stem cell growth factor receptor Kit | 1 |
| 16735117 | 10.1016/j.bmcl.2006.05.057 | Vascular endothelial growth factor receptor 3 | 1 |
| 16735117 | 10.1016/j.bmcl.2006.05.057 | Vascular endothelial growth factor receptor 1 | 1 |
| 16735117 | 10.1016/j.bmcl.2006.05.057 | Angiopoietin-1 receptor | 1 |
Data from ChEMBL 36 via Core Engine