Compound Detail
CHEMBL403706
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Basic Information
| ChEMBL ID | CHEMBL403706 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MDHJZTYSOIXDLA-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
455.4
MW (Da)
4.97
ALogP
6
HBA
4
HBD
117.3
PSA (Ų)
0.45
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL3337 | IC50 | 7.28 | 7.28 | 52.0 | 1 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 6.87 | 6.87 | 135.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 6.0 | nM | 8.22 | Inhibition of KDR in presence of 1 mM ATP | 18362070 |
| Mast/stem cell growth factor receptor Kit | IC50 | = | 12.0 | nM | 7.92 | Inhibition of cKit | 18362070 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 52.0 | nM | 7.28 | Inhibition of VEGF-induced KDR phosphorylation in mouse 3T3 cells | 18362070 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 135.0 | nM | 6.87 | Inhibition of Flt3 | 18362070 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18362070 | 10.1016/j.bmcl.2008.03.021 | Vascular endothelial growth factor receptor 2 | 2 |
| 18362070 | 10.1016/j.bmcl.2008.03.021 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 18362070 | 10.1016/j.bmcl.2008.03.021 | Mast/stem cell growth factor receptor Kit | 1 |
Data from ChEMBL 36 via Core Engine