Compound Detail
CHEMBL271441
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Basic Information
| ChEMBL ID | CHEMBL271441 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BDPBZUHWAVABDM-UHFFFAOYSA-N |
11
Targets
17
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
376.4
MW (Da)
4.30
ALogP
4
HBA
4
HBD
108.7
PSA (Ų)
0.43
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 11 meas. best 9.8
IC50 6 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 1 CHEMBL1868 | Ki | 9.8 | 9.8 | 0.2 | 1 |
| Vascular endothelial growth factor receptor 3 CHEMBL1955 | Ki | 9.5 | 9.5 | 0.3 | 1 |
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | Ki | 9.3 | 9.3 | 0.5 | 1 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | Ki | 9.3 | 9.3 | 0.5 | 1 |
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | Ki | 9.1 | 9.1 | 0.8 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 9.0 | 8.84 | 1.0 | 6 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | Ki | 8.7 | 8.7 | 2.0 | 1 |
| Tyrosine-protein kinase Lck CHEMBL258 | Ki | 7.1 | 7.1 | 79.4 | 1 |
| Tyrosine-protein kinase Lyn CHEMBL3905 | Ki | 7.0 | 7.0 | 100.0 | 1 |
| Tyrosine-protein kinase Fyn CHEMBL1841 | Ki | 6.9 | 6.9 | 125.9 | 1 |
| Tyrosine-protein kinase Blk CHEMBL2250 | Ki | 6.8 | 6.8 | 158.5 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | Ki | 6.4 | 6.4 | 398.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-011-9926-4 | Vascular endothelial growth factor receptor 2 | 4 |
| 18023347 | 10.1016/j.bmcl.2007.10.018 | Vascular endothelial growth factor receptor 2 | 2 |
| 18023347 | 10.1016/j.bmcl.2007.10.018 | Mus musculus | 1 |
| 18023347 | 10.1016/j.bmcl.2007.10.018 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine