Compound Detail
CHEMBL3942288
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Basic Information
| ChEMBL ID | CHEMBL3942288 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GDAJJNYCUJYRBK-DTQAZKPQSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
445.5
MW (Da)
7.09
ALogP
3
HBA
2
HBD
67.0
PSA (Ų)
0.29
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.43
Ki 2 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | Ki | 9.05 | 9.05 | 0.9 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 8.43 | 7.9933 | 3.7 | 3 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | Ki | 7.85 | 7.85 | 14.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | Ki | = | 0.9 | nM | 9.05 | Inhibition of unphosphorylated human 50 residues truncated cytoplasmic domain of... | - |
| NON-PROTEIN TARGET | IC50 | = | 3.7 | nM | 8.43 | Antiproliferative activity against VEGF-stimulated HUVEC cells assessed as reduc... | - |
| NON-PROTEIN TARGET | IC50 | = | 8.5 | nM | 8.07 | Antiproliferative activity against VEGF-stimulated human MV522 cells assessed as... | - |
| Fibroblast growth factor receptor 1 | Ki | = | 14.0 | nM | 7.85 | Inhibition of human phosphorylated FGFR1 L457V/C488A/C584S mutant expressed in b... | - |
| NON-PROTEIN TARGET | IC50 | = | 33.0 | nM | 7.48 | Antiproliferative activity against VEGF-stimulated HUVEC cells assessed as reduc... | - |
Data from ChEMBL 36 via Core Engine