Compound Detail
CHEMBL443906
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL443906 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SRCAIQMBBDVLGX-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
344.4
MW (Da)
4.37
ALogP
6
HBA
2
HBD
79.4
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ephrin type-B receptor 4 CHEMBL5147 | IC50 | 6.08 | 6.08 | 840.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.06 | 6.06 | 870.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ephrin type-B receptor 4 | IC50 | = | 840.0 | nM | 6.08 | Inhibition of EphB4 by virtual HTS assay | 19211246 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 870.0 | nM | 6.06 | Inhibition of VEGFR2 by virtual HTS assay | 19211246 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of Src by virtual HTS assay | 19211246 |
| Insulin-like growth factor 1 receptor | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of IGF1R by virtual HTS assay | 19211246 |
| Epidermal growth factor receptor | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of EGFR by virtual HTS assay | 19211246 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19211246 | 10.1016/j.bmcl.2009.01.054 | Aurora kinase B | 1 |
| 19211246 | 10.1016/j.bmcl.2009.01.054 | Aurora kinase A | 1 |
| 19211246 | 10.1016/j.bmcl.2009.01.054 | Insulin receptor | 1 |
| 19211246 | 10.1016/j.bmcl.2009.01.054 | Epidermal growth factor receptor | 1 |
| 19211246 | 10.1016/j.bmcl.2009.01.054 | Insulin-like growth factor 1 receptor | 1 |
| 19211246 | 10.1016/j.bmcl.2009.01.054 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 19211246 | 10.1016/j.bmcl.2009.01.054 | Vascular endothelial growth factor receptor 2 | 1 |
| 19211246 | 10.1016/j.bmcl.2009.01.054 | Ephrin type-B receptor 4 | 1 |
| 19211246 | 10.1016/j.bmcl.2009.01.054 | Platelet-derived growth factor receptor beta | 1 |
| 19211246 | 10.1016/j.bmcl.2009.01.054 | Vascular endothelial growth factor receptor 3 | 1 |
| 19211246 | 10.1016/j.bmcl.2009.01.054 | Angiopoietin-1 receptor | 1 |
Data from ChEMBL 36 via Core Engine