Compound Detail
CHEMBL412278
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Basic Information
| ChEMBL ID | CHEMBL412278 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PGINJTUIQUFAPP-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
433.5
MW (Da)
3.97
ALogP
7
HBA
1
HBD
91.8
PSA (Ų)
0.42
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.5 | 6.5 | 314.0 | 2 |
| Aurora kinase B CHEMBL2185 | IC50 | 6.42 | 6.42 | 385.0 | 1 |
| Angiopoietin-1 receptor CHEMBL4128 | IC50 | 5.08 | 5.08 | 8300.0 | 1 |
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
| Aurora kinase A CHEMBL4722 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 314.0 | nM | 6.5 | Inhibition of KDR | 18324759 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 316.23 | nM | 6.5 | Inhibition of human VEGFR2 after 60 mins | 19081278 |
| Aurora kinase B | IC50 | = | 385.0 | nM | 6.42 | Inhibition of Aurora B | 18324759 |
| Angiopoietin-1 receptor | IC50 | = | 8300.0 | nM | 5.08 | Inhibition of Tie2 | 18324759 |
| Hepatocyte growth factor receptor | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of c-Met | 18324759 |
| Aurora kinase A | IC50 | = | 25000.0 | nM | 4.6 | Inhibition of Aurora A | 18324759 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18324759 | 10.1021/jm701098w | HUVEC | 2 |
| 18324759 | 10.1021/jm701098w | Vascular endothelial growth factor receptor 2 | 1 |
| 18324759 | 10.1021/jm701098w | Angiopoietin-1 receptor | 1 |
| 18324759 | 10.1021/jm701098w | Hepatocyte growth factor receptor | 1 |
| 18324759 | 10.1021/jm701098w | Aurora kinase A | 1 |
| 18324759 | 10.1021/jm701098w | Aurora kinase B | 1 |
| 18324759 | 10.1021/jm701098w | Vascular endothelial growth factor receptor 3 | 1 |
| 19081278 | 10.1016/j.jmgm.2008.10.006 | Vascular endothelial growth factor receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine