Compound Detail
CHEMBL410840
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Basic Information
| ChEMBL ID | CHEMBL410840 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RBZINWUMPZNWCZ-UHFFFAOYSA-N |
7
Targets
8
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
456.4
MW (Da)
5.49
ALogP
5
HBA
1
HBD
69.7
PSA (Ų)
0.42
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 8.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 8.42 | 8.42 | 3.8 | 1 |
| Aurora kinase B CHEMBL2185 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| HUVEC CHEMBL613979 | IC50 | 7.62 | 6.78 | 24.0 | 2 |
| Aurora kinase A CHEMBL4722 | IC50 | 6.03 | 6.03 | 930.0 | 1 |
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
| Angiopoietin-1 receptor CHEMBL4128 | 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 | = | 3.8 | nM | 8.42 | Inhibition of KDR | 18324759 |
| Aurora kinase B | IC50 | = | 16.0 | nM | 7.8 | Inhibition of Aurora B | 18324759 |
| HUVEC | IC50 | = | 24.0 | nM | 7.62 | Inhibition of VEGF-induced proliferation of HUVEC | 18324759 |
| Aurora kinase A | IC50 | = | 930.0 | nM | 6.03 | Inhibition of Aurora A | 18324759 |
| HUVEC | IC50 | = | 1140.0 | nM | 5.94 | Inhibition of bFGF-induced proliferation of HUVEC | 18324759 |
| Hepatocyte growth factor receptor | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of c-Met | 18324759 |
| Angiopoietin-1 receptor | IC50 | = | 25000.0 | nM | 4.6 | Inhibition of Tie2 | 18324759 |
| Tyrosine-protein kinase Lck | IC50 | = | 25000.0 | nM | 4.6 | Inhibition of Lck | 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 | Tyrosine-protein kinase Lck | 1 |
| 18324759 | 10.1021/jm701098w | Aurora kinase A | 1 |
| 18324759 | 10.1021/jm701098w | Aurora kinase B | 1 |
Data from ChEMBL 36 via Core Engine