Compound Detail
CHEMBL465130
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
CN(C(=O)CC(=O)Nc1ccc(Oc2ccnc3cc(-c4cn(C)cn4)sc23)c(F)c1)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL465130 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MMRWFYJZBLPXLP-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
515.6
MW (Da)
5.62
ALogP
7
HBA
1
HBD
89.3
PSA (Ų)
0.28
QED
2
Ro5 Violations
7
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 |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 8.0 | 8.0 | 10.0 | 2 |
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 7.4 | 7.235 | 40.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of GST-fused recombinant VGFR2 catalytic domain expressed in baculovi... | 19211249 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of recombinant GST-fused VEGFR2 expressed in baculovirus infected Sf9... | 20071170 |
| Hepatocyte growth factor receptor | IC50 | = | 40.0 | nM | 7.4 | Inhibition of recombinant GST-fused c-Met expressed in baculovirus infected high... | 20071170 |
| Hepatocyte growth factor receptor | IC50 | = | 43.0 | nM | 7.37 | Inhibition of GST-fused recombinant c-Met catalytic domain expressed in baculovi... | 19211249 |
| Hepatocyte growth factor receptor | IC50 | = | 43.0 | nM | 7.37 | Inhibition of human c-MET | 21641696 |
| Hepatocyte growth factor receptor | IC50 | = | 160.0 | nM | 6.8 | Inhibition of TPR-fused Met phosphorylation expressed in human 293T cells by ELI... | 19211249 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19211249 | 10.1016/j.bmcl.2009.01.068 | Hepatocyte growth factor receptor | 2 |
| 19211249 | 10.1016/j.bmcl.2009.01.068 | Vascular endothelial growth factor receptor 2 | 1 |
| 20071170 | 10.1016/j.bmcl.2009.12.099 | Vascular endothelial growth factor receptor 2 | 1 |
| 20071170 | 10.1016/j.bmcl.2009.12.099 | Hepatocyte growth factor receptor | 1 |
| 21641696 | 10.1016/j.ejmech.2011.05.031 | Hepatocyte growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine