Compound Detail
CHEMBL2332849
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Basic Information
| ChEMBL ID | CHEMBL2332849 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PPLYMEJBBVJECW-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
414.4
MW (Da)
4.81
ALogP
5
HBA
3
HBD
104.8
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.3
Kd 1 meas. best 6.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 8.3 | 7.9 | 5.0 | 2 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.42 | 7.42 | 38.0 | 1 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | Kd | 6.04 | 6.04 | 910.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL2331049 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 5.0 | nM | 8.3 | Inhibition of FLT3-ITD mutant in human MV4-11 cells assessed as decrease in cell... | 23362959 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 32.0 | nM | 7.5 | Inhibition of FLT3 (unknown origin) | 23362959 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 38.0 | nM | 7.42 | Inhibition of VEGFR2 (unknown origin) | 23362959 |
| Receptor-type tyrosine-protein kinase FLT3 | Kd | = | 910.0 | nM | 6.04 | Binding affinity to FLT3-ITD mutant (unknown origin) | 23362959 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of VEGFR2 in transgenic zebrafish embryo assessed as inhibition of in... | 23362959 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23362959 | 10.1021/jm301537p | Receptor-type tyrosine-protein kinase FLT3 | 3 |
| 23362959 | 10.1021/jm301537p | Vascular endothelial growth factor receptor 2 | 2 |
| 23362959 | 10.1021/jm301537p | HeLa | 1 |
Data from ChEMBL 36 via Core Engine