Compound Detail
CHEMBL402042
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Basic Information
| ChEMBL ID | CHEMBL402042 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OBFSYIGNFLQCLK-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
514.6
MW (Da)
6.35
ALogP
6
HBA
2
HBD
76.1
PSA (Ų)
0.26
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 7.28 | 7.0267 | 52.0 | 3 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.95 | 6.95 | 113.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | IC50 | = | 52.0 | nM | 7.28 | Inhibition of TPR-Met fusion protein assessed as Y1230-34-35 phosphorylation | 18434145 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 113.0 | nM | 6.95 | Inhibition of GST tagged VEGFR2 expressed in Sf9 cells | 18434145 |
| Hepatocyte growth factor receptor | IC50 | = | 126.0 | nM | 6.9 | Inhibition of GST tagged c-Met expressed in Sf9 cells | 18434145 |
| Hepatocyte growth factor receptor | IC50 | = | 126.0 | nM | 6.9 | Inhibition of human c-MET | 21641696 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18434145 | 10.1016/j.bmcl.2008.04.009 | Hepatocyte growth factor receptor | 2 |
| 18434145 | 10.1016/j.bmcl.2008.04.009 | Vascular endothelial growth factor receptor 2 | 1 |
| 21641696 | 10.1016/j.ejmech.2011.05.031 | Hepatocyte growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine