Compound Detail
CHEMBL201713
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Basic Information
| ChEMBL ID | CHEMBL201713 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | INSHFSYSJAHGNC-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
388.3
MW (Da)
4.34
ALogP
4
HBA
1
HBD
54.9
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.07 | 6.03 | 860.0 | 2 |
| Vascular endothelial growth factor receptor 1 CHEMBL1868 | IC50 | 5.42 | 5.42 | 3850.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 860.0 | nM | 6.07 | Inhibitory activity against VEGFR2 by HTRF assay | 16275072 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 1020.0 | nM | 5.99 | Inhibitory activity against VEGFR2 transiently transfected in 293 adenovirus tra... | 16275072 |
| Vascular endothelial growth factor receptor 1 | IC50 | = | 3850.0 | nM | 5.42 | Inhibitory activity against VEGFR1 by HTRF assay | 16275072 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16275072 | 10.1016/j.bmcl.2005.10.058 | Vascular endothelial growth factor receptor 2 | 2 |
| 16275072 | 10.1016/j.bmcl.2005.10.058 | Vascular endothelial growth factor receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine