Compound Detail
CHEMBL438653
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL438653 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KHIGYHIMVWQYPO-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
444.5
MW (Da)
4.70
ALogP
5
HBA
4
HBD
108.3
PSA (Ų)
0.33
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.92 | 7.67 | 12.0 | 2 |
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 7.19 | 7.19 | 65.0 | 2 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 7.14 | 7.14 | 73.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 12.0 | nM | 7.92 | Inhibition of VEGF-induced human KDR phosphorylation in mouse 3T3 cells by ELISA | 17343372 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 38.0 | nM | 7.42 | Inhibition of KDR by HTRF assay | 17343372 |
| Mast/stem cell growth factor receptor Kit | IC50 | = | 65.0 | nM | 7.19 | Inhibition of c-Kit by HTRF assay | 17343372 |
| Mast/stem cell growth factor receptor Kit | IC50 | = | 65.0 | nM | 7.19 | Inhibition of c-Kit by HTRF method | 19892442 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 73.0 | nM | 7.14 | Inhibition of FLT3 by HTRF assay | 17343372 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17343372 | 10.1021/jm061280h | Vascular endothelial growth factor receptor 2 | 2 |
| 17343372 | 10.1021/jm061280h | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 17343372 | 10.1021/jm061280h | Mast/stem cell growth factor receptor Kit | 1 |
| 17343372 | 10.1021/jm061280h | Mus musculus | 1 |
| 19892442 | 10.1016/j.ejmech.2009.09.013 | Mast/stem cell growth factor receptor Kit | 1 |
Data from ChEMBL 36 via Core Engine