Compound Detail
CHEMBL5631845
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Basic Information
| ChEMBL ID | CHEMBL5631845 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TVJQMNOHJPUFKJ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
415.9
MW (Da)
4.58
ALogP
6
HBA
3
HBD
97.4
PSA (Ų)
0.52
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 3 CHEMBL1955 | IC50 | 6.9 | 6.9 | 125.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
| Vascular endothelial growth factor receptor 1 CHEMBL1868 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 3 | IC50 | = | 125.0 | nM | 6.9 | Inhibition of VEGFR-3 (unknown origin) | 37453330 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 160.0 | nM | 6.8 | Inhibition of VEGFR-2 (unknown origin) | 37453330 |
| Vascular endothelial growth factor receptor 1 | IC50 | = | 170.0 | nM | 6.77 | Inhibition of VEGFR-1 (unknown origin) | 37453330 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37453330 | 10.1016/j.ejmech.2023.115626 | Vascular endothelial growth factor receptor 2 | 1 |
| 37453330 | 10.1016/j.ejmech.2023.115626 | Vascular endothelial growth factor receptor 1 | 1 |
| 37453330 | 10.1016/j.ejmech.2023.115626 | Vascular endothelial growth factor receptor 3 | 1 |
Data from ChEMBL 36 via Core Engine