Compound Detail
CHEMBL271796
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Basic Information
| ChEMBL ID | CHEMBL271796 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QBINMYSOQKXQQY-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
412.4
MW (Da)
5.74
ALogP
4
HBA
3
HBD
93.2
PSA (Ų)
0.40
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.43 | 7.31 | 37.0 | 2 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 7.19 | 7.19 | 64.0 | 1 |
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 6.94 | 6.94 | 114.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 37.0 | nM | 7.43 | Inhibition of KDR by HTRF assay | 18260617 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 64.0 | nM | 7.19 | Inhibition of FLT3 by HTRF assay | 18260617 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 65.0 | nM | 7.19 | Inhibition of human KDR phosphorylation in mouse NIH3T3 cells by ELISA | 18260617 |
| Mast/stem cell growth factor receptor Kit | IC50 | = | 114.0 | nM | 6.94 | Inhibition of KIT by HTRF assay | 18260617 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18260617 | 10.1021/jm701096v | Vascular endothelial growth factor receptor 2 | 2 |
| 18260617 | 10.1021/jm701096v | Mast/stem cell growth factor receptor Kit | 1 |
| 18260617 | 10.1021/jm701096v | Receptor-type tyrosine-protein kinase FLT3 | 1 |
Data from ChEMBL 36 via Core Engine