Compound Detail
CHEMBL401041
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Basic Information
| ChEMBL ID | CHEMBL401041 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YBLAYGHYSZAEPB-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
363.5
MW (Da)
3.98
ALogP
5
HBA
2
HBD
71.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.35 | 7.05 | 45.0 | 2 |
| Vascular endothelial growth factor receptor 1 CHEMBL1868 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 45.0 | nM | 7.35 | Inhibition of VEGFR2 by cell-based assay | 17188873 |
| Vascular endothelial growth factor receptor 1 | IC50 | = | 130.0 | nM | 6.89 | Inhibition of VEGFR1 by HTRF assay | 17188873 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 180.0 | nM | 6.75 | Inhibition of VEGFR2 by HTRF assay | 17188873 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17188873 | 10.1016/j.bmcl.2006.11.087 | Vascular endothelial growth factor receptor 2 | 2 |
| 17188873 | 10.1016/j.bmcl.2006.11.087 | Vascular endothelial growth factor receptor 1 | 1 |
| 17188873 | 10.1016/j.bmcl.2006.11.087 | Caco-2 | 1 |
Data from ChEMBL 36 via Core Engine