Compound Detail
CHEMBL223572
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Basic Information
| ChEMBL ID | CHEMBL223572 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWVXVSDWFBDEBO-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
456.6
MW (Da)
4.60
ALogP
5
HBA
4
HBD
108.3
PSA (Ų)
0.35
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.41 | 6.41 | 390.0 | 1 |
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 6.35 | 6.35 | 450.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 390.0 | nM | 6.41 | Inhibition of KDR by HTRF assay | 17343372 |
| Mast/stem cell growth factor receptor Kit | IC50 | = | 400.0 | nM | 6.4 | Inhibition of c-Kit by HTRF assay | 17343372 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 450.0 | nM | 6.35 | Inhibition of FLT3 by HTRF assay | 17343372 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17343372 | 10.1021/jm061280h | Vascular endothelial growth factor receptor 2 | 1 |
| 17343372 | 10.1021/jm061280h | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 17343372 | 10.1021/jm061280h | Mast/stem cell growth factor receptor Kit | 1 |
Data from ChEMBL 36 via Core Engine