Compound Detail
CHEMBL497343
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Basic Information
| ChEMBL ID | CHEMBL497343 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XWAAKVKNHUQQFW-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
394.4
MW (Da)
3.52
ALogP
7
HBA
1
HBD
91.6
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 8.0 | 7.875 | 10.0 | 2 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 7.11 | 7.11 | 77.0 | 1 |
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 5.47 | 5.47 | 3400.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.42 | 5.42 | 3800.0 | 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 | = | 10.0 | nM | 8.0 | Inhibition of c-Kit by TR-FRET assay | 18447379 |
| Mast/stem cell growth factor receptor Kit | IC50 | = | 18.0 | nM | 7.75 | Inhibition of SCF-induced phosphorylation of c-Kit in MO7e cells by TR-FRET assa... | 18447379 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 77.0 | nM | 7.11 | Inhibition of Src by TR-FRET assay | 18447379 |
| Tyrosine-protein kinase Lck | IC50 | = | 110.0 | nM | 6.96 | Inhibition of Lck by TR-FRET assay | 18447379 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 3400.0 | nM | 5.47 | Inhibition of KDR by TR-FRET assay | 18447379 |
| Unchecked | IC50 | = | 3800.0 | nM | 5.42 | Inhibition of p38 by TR-FRET assay | 18447379 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18447379 | 10.1021/jm800188g | Mast/stem cell growth factor receptor Kit | 2 |
| 18447379 | 10.1021/jm800188g | Vascular endothelial growth factor receptor 2 | 1 |
| 18447379 | 10.1021/jm800188g | Unchecked | 1 |
| 18447379 | 10.1021/jm800188g | Tyrosine-protein kinase Lck | 1 |
| 18447379 | 10.1021/jm800188g | Proto-oncogene tyrosine-protein kinase Src | 1 |
Data from ChEMBL 36 via Core Engine