Compound Detail
CHEMBL408478
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Basic Information
| ChEMBL ID | CHEMBL408478 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZWQPZFHCKLZVGB-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
497.6
MW (Da)
6.74
ALogP
7
HBA
1
HBD
95.7
PSA (Ų)
0.28
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 9.1 | 9.1 | 0.8 | 2 |
| HUVEC CHEMBL613979 | IC50 | 7.17 | 6.945 | 68.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 0.8 | nM | 9.1 | Inhibition of KDR by HTRF assay | 18324761 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 0.7943 | nM | 9.1 | Inhibition of human VEGFR2 after 60 mins | 19081278 |
| HUVEC | IC50 | = | 68.0 | nM | 7.17 | Inhibition of VEGF-induced proliferation of HUVEC cells | 18324761 |
| HUVEC | IC50 | = | 190.0 | nM | 6.72 | Inhibition of bFGF-induced proliferation of HUVEC cells | 18324761 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18324761 | 10.1021/jm701097z | HUVEC | 2 |
| 18324761 | 10.1021/jm701097z | Vascular endothelial growth factor receptor 2 | 1 |
| 19081278 | 10.1016/j.jmgm.2008.10.006 | Vascular endothelial growth factor receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine