Compound Detail
CHEMBL402002
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL402002 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VEGDXHXEGCZBEY-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
354.9
MW (Da)
5.28
ALogP
3
HBA
1
HBD
42.0
PSA (Ų)
0.63
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.34 | 7.34 | 46.0 | 1 |
| HUVEC CHEMBL613979 | IC50 | 6.32 | 6.3 | 480.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 46.0 | nM | 7.34 | Inhibition of KDR by ELISA | 18420406 |
| HUVEC | IC50 | = | 480.0 | nM | 6.32 | Inhibition of VEGF-induced HUVEC proliferation treated 1 hr before VEGF challeng... | 21074435 |
| HUVEC | IC50 | = | 530.0 | nM | 6.28 | Antiproliferative activity against VEGF-induced HUVEC cells | 18420406 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18420406 | 10.1016/j.bmcl.2008.03.068 | Vascular endothelial growth factor receptor 2 | 1 |
| 18420406 | 10.1016/j.bmcl.2008.03.068 | HUVEC | 1 |
| 21074435 | 10.1016/j.bmcl.2010.10.096 | HUVEC | 1 |
Data from ChEMBL 36 via Core Engine