Compound Detail
CHEMBL1254096
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Basic Information
| ChEMBL ID | CHEMBL1254096 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JCVWBFLIKUPNPW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
438.4
MW (Da)
5.25
ALogP
5
HBA
2
HBD
75.1
PSA (Ų)
0.46
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 8.15 | 8.15 | 7.1 | 1 |
| HUVEC CHEMBL613979 | IC50 | 6.64 | 6.64 | 230.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 7.1 | nM | 8.15 | Inhibition of human VEGFR2 | 20833055 |
| HUVEC | IC50 | = | 230.0 | nM | 6.64 | Growth inhibition of HUVEC cells assessed as inhibition of VEGF-mediated prolife... | 20833055 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20833055 | 10.1016/j.bmc.2010.08.017 | Vascular endothelial growth factor receptor 2 | 1 |
| 20833055 | 10.1016/j.bmc.2010.08.017 | HUVEC | 1 |
Data from ChEMBL 36 via Core Engine