Compound Detail
CHEMBL3953791
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Basic Information
| ChEMBL ID | CHEMBL3953791 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FNVQWCIBCILNCW-SDNWHVSQSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
382.5
MW (Da)
5.46
ALogP
3
HBA
2
HBD
61.0
PSA (Ų)
0.48
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.68
Ki 3 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | Ki | 8.74 | 8.45 | 1.8 | 2 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 8.68 | 7.9867 | 2.1 | 3 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | Ki | 7.72 | 7.72 | 19.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | Ki | = | 1.8 | nM | 8.74 | Inhibition of unphosphorylated human 50 residues truncated cytoplasmic domain of... | - |
| NON-PROTEIN TARGET | IC50 | = | 2.1 | nM | 8.68 | Antiproliferative activity against VEGF-stimulated human MV522 cells assessed as... | - |
| NON-PROTEIN TARGET | IC50 | = | 6.0 | nM | 8.22 | Antiproliferative activity against VEGF-stimulated HUVEC cells assessed as reduc... | - |
| Vascular endothelial growth factor receptor 2 | Ki | = | 6.9 | nM | 8.16 | Inhibition of human 50 residues truncated cytoplasmic domain of phosphorylated V... | - |
| Fibroblast growth factor receptor 1 | Ki | = | 19.0 | nM | 7.72 | Inhibition of human phosphorylated FGFR1 L457V/C488A/C584S mutant expressed in b... | - |
| NON-PROTEIN TARGET | IC50 | = | 87.0 | nM | 7.06 | Antiproliferative activity against VEGF-stimulated HUVEC cells assessed as reduc... | - |
Data from ChEMBL 36 via Core Engine