Compound Detail
CHEMBL3960801
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Basic Information
| ChEMBL ID | CHEMBL3960801 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GVTLIPUHGMMION-SAPNQHFASA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
447.6
MW (Da)
7.14
ALogP
3
HBA
2
HBD
57.8
PSA (Ų)
0.29
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.09
Ki 2 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | Ki | 8.8 | 8.45 | 1.6 | 2 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 8.09 | 8.045 | 8.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | Ki | = | 1.6 | nM | 8.8 | Inhibition of unphosphorylated human 50 residues truncated cytoplasmic domain of... | - |
| Vascular endothelial growth factor receptor 2 | Ki | = | 8.0 | nM | 8.1 | Inhibition of human 50 residues truncated cytoplasmic domain of phosphorylated V... | - |
| NON-PROTEIN TARGET | IC50 | = | 8.2 | nM | 8.09 | Antiproliferative activity against VEGF-stimulated HUVEC cells assessed as reduc... | - |
| NON-PROTEIN TARGET | IC50 | = | 10.0 | nM | 8.0 | Antiproliferative activity against VEGF-stimulated human MV522 cells assessed as... | - |
Data from ChEMBL 36 via Core Engine