Compound Detail
CHEMBL488645
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 | CHEMBL488645 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CPWSAJBBZKPYRF-UHFFFAOYSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
436.5
MW (Da)
4.09
ALogP
6
HBA
1
HBD
71.0
PSA (Ų)
0.58
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 3 CHEMBL1955 | IC50 | 5.28 | 5.28 | 5300.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 5.28 | 5.28 | 5200.0 | 1 |
| Angiopoietin-1 receptor CHEMBL4128 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
| Focal adhesion kinase 1 CHEMBL2695 | IC50 | 4.57 | 4.57 | 27000.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 4.54 | 4.54 | 29000.0 | 1 |
| Aurora kinase A CHEMBL4722 | IC50 | 4.48 | 4.48 | 33000.0 | 1 |
| Serine/threonine-protein kinase PLK4 CHEMBL3788 | IC50 | 4.36 | 4.36 | 44000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 5200.0 | nM | 5.28 | Inhibition of human recombinant VEGFR2 | 18529047 |
| Vascular endothelial growth factor receptor 3 | IC50 | = | 5300.0 | nM | 5.28 | Inhibition of human recombinant VEGFR3 | 18529047 |
| Angiopoietin-1 receptor | IC50 | = | 11000.0 | nM | 4.96 | Inhibition of human recombinant TIE2 | 18529047 |
| Focal adhesion kinase 1 | IC50 | = | 27000.0 | nM | 4.57 | Inhibition of human recombinant FAK | 18529047 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 29000.0 | nM | 4.54 | Inhibition of human recombinant SRC | 18529047 |
| Aurora kinase A | IC50 | = | 33000.0 | nM | 4.48 | Inhibition of human recombinant Aurora A | 18529047 |
| Serine/threonine-protein kinase PLK4 | IC50 | = | 44000.0 | nM | 4.36 | Inhibition of human recombinant SAK | 18529047 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18529047 | 10.1021/jm8001185 | Aurora kinase A | 1 |
| 18529047 | 10.1021/jm8001185 | Focal adhesion kinase 1 | 1 |
| 18529047 | 10.1021/jm8001185 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 18529047 | 10.1021/jm8001185 | Vascular endothelial growth factor receptor 2 | 1 |
| 18529047 | 10.1021/jm8001185 | Vascular endothelial growth factor receptor 3 | 1 |
| 18529047 | 10.1021/jm8001185 | Serine/threonine-protein kinase PLK4 | 1 |
| 18529047 | 10.1021/jm8001185 | Angiopoietin-1 receptor | 1 |
Data from ChEMBL 36 via Core Engine