Compound Detail
CHEMBL491429
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Basic Information
| ChEMBL ID | CHEMBL491429 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FEGRQUWSKADGSP-UHFFFAOYSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
433.8
MW (Da)
5.29
ALogP
6
HBA
2
HBD
92.9
PSA (Ų)
0.45
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Platelet-derived growth factor receptor alpha CHEMBL2007 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 7.15 | 7.15 | 71.0 | 1 |
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 7.12 | 7.12 | 75.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 6.93 | 6.93 | 117.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.47 | 6.47 | 339.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.45 | 6.45 | 353.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mast/stem cell growth factor receptor Kit | IC50 | = | 3.0 | nM | 8.52 | Inhibition of c-kit | 18723346 |
| Platelet-derived growth factor receptor alpha | IC50 | = | 4.0 | nM | 8.4 | Inhibition of PDGFRalpha | 18723346 |
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 71.0 | nM | 7.15 | Inhibition of cFMS | 18723346 |
| Tyrosine-protein kinase Lck | IC50 | = | 75.0 | nM | 7.12 | Inhibition of Lck | 18723346 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 117.0 | nM | 6.93 | Inhibition of Src | 18723346 |
| Unchecked | IC50 | = | 339.0 | nM | 6.47 | Inhibition of p38 | 18723346 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 353.0 | nM | 6.45 | Inhibition of KDR | 18723346 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18723346 | 10.1016/j.bmcl.2008.07.111 | Unchecked | 6 |
| 18723346 | 10.1016/j.bmcl.2008.07.111 | Mast/stem cell growth factor receptor Kit | 1 |
| 18723346 | 10.1016/j.bmcl.2008.07.111 | Vascular endothelial growth factor receptor 2 | 1 |
| 18723346 | 10.1016/j.bmcl.2008.07.111 | Angiopoietin-1 receptor | 1 |
| 18723346 | 10.1016/j.bmcl.2008.07.111 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 18723346 | 10.1016/j.bmcl.2008.07.111 | Tyrosine-protein kinase Lck | 1 |
| 18723346 | 10.1016/j.bmcl.2008.07.111 | Macrophage colony-stimulating factor 1 receptor | 1 |
| 18723346 | 10.1016/j.bmcl.2008.07.111 | Platelet-derived growth factor receptor alpha | 1 |
Data from ChEMBL 36 via Core Engine