Compound Detail
CHEMBL1242107
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Basic Information
| ChEMBL ID | CHEMBL1242107 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JAUMZCPURODLNC-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
433.5
MW (Da)
4.68
ALogP
7
HBA
3
HBD
119.2
PSA (Ų)
0.40
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 7.37 | 7.37 | 42.7 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.53 | 6.53 | 295.1 | 1 |
| Angiopoietin-1 receptor CHEMBL4128 | IC50 | 6.29 | 6.29 | 512.9 | 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 | = | 42.66 | nM | 7.37 | Inhibition of cKIT | 17293140 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 295.12 | nM | 6.53 | Inhibition of KDR | 17293140 |
| Angiopoietin-1 receptor | IC50 | = | 512.86 | nM | 6.29 | Inhibition of Tie2 | 17293140 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17293140 | 10.1016/j.jmgm.2006.12.001 | Vascular endothelial growth factor receptor 2 | 1 |
| 17293140 | 10.1016/j.jmgm.2006.12.001 | Mast/stem cell growth factor receptor Kit | 1 |
| 17293140 | 10.1016/j.jmgm.2006.12.001 | Angiopoietin-1 receptor | 1 |
Data from ChEMBL 36 via Core Engine