Compound Detail
CHEMBL591924
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
COc1ccccc1NC(=O)CC(Nc1ccc(Oc2ccnc3cc(-c4cn(C)cn4)sc23)c(F)c1)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL591924 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FVWWFRASLMZWEX-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
585.6
MW (Da)
7.01
ALogP
8
HBA
2
HBD
90.3
PSA (Ų)
0.18
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 6.08 | 5.6325 | 840.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 20.0 | nM | 7.7 | Inhibition of recombinant GST-fused VEGFR2 expressed in baculovirus infected Sf9... | 20071170 |
| Hepatocyte growth factor receptor | IC50 | = | 840.0 | nM | 6.08 | Inhibition of recombinant GST-fused c-Met expressed in baculovirus infected high... | 20071170 |
| Hepatocyte growth factor receptor | IC50 | = | 1800.0 | nM | 5.75 | Inhibition of TPR-fused Met autophosphorylation expressed in HEK293T cells after... | 20071170 |
| Hepatocyte growth factor receptor | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of c-MET in human A549 cells by wound healing assay | 20071170 |
| Hepatocyte growth factor receptor | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of c-MET in human DU145 cells by scattering assay | 20071170 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20071170 | 10.1016/j.bmcl.2009.12.099 | Hepatocyte growth factor receptor | 5 |
| 20071170 | 10.1016/j.bmcl.2009.12.099 | Proto-oncogene tyrosine-protein kinase receptor Ret | 1 |
| 20071170 | 10.1016/j.bmcl.2009.12.099 | Vascular endothelial growth factor receptor 2 | 1 |
| 20071170 | 10.1016/j.bmcl.2009.12.099 | Tyrosine-protein kinase JAK3 | 1 |
| 20071170 | 10.1016/j.bmcl.2009.12.099 | Tyrosine-protein kinase JAK2 | 1 |
| 20071170 | 10.1016/j.bmcl.2009.12.099 | Inhibitor of nuclear factor kappa-B kinase subunit beta | 1 |
| 20071170 | 10.1016/j.bmcl.2009.12.099 | Serine/threonine-protein kinase haspin | 1 |
| 20071170 | 10.1016/j.bmcl.2009.12.099 | Glycogen synthase kinase-3 beta | 1 |
| 20071170 | 10.1016/j.bmcl.2009.12.099 | Focal adhesion kinase 1 | 1 |
| 20071170 | 10.1016/j.bmcl.2009.12.099 | Ephrin type-B receptor 4 | 1 |
| 20071170 | 10.1016/j.bmcl.2009.12.099 | RAF proto-oncogene serine/threonine-protein kinase | 1 |
| 20071170 | 10.1016/j.bmcl.2009.12.099 | Mast/stem cell growth factor receptor Kit | 1 |
| 20071170 | 10.1016/j.bmcl.2009.12.099 | Serine/threonine-protein kinase Chk1 | 1 |
| 20071170 | 10.1016/j.bmcl.2009.12.099 | Cytoplasmic tyrosine-protein kinase BMX | 1 |
| 20071170 | 10.1016/j.bmcl.2009.12.099 | ALK tyrosine kinase receptor | 1 |
| 20071170 | 10.1016/j.bmcl.2009.12.099 | Vascular endothelial growth factor receptor 3 | 1 |
| 20071170 | 10.1016/j.bmcl.2009.12.099 | Vascular endothelial growth factor receptor 1 | 1 |
| 20071170 | 10.1016/j.bmcl.2009.12.099 | High affinity nerve growth factor receptor | 1 |
| 20071170 | 10.1016/j.bmcl.2009.12.099 | Angiopoietin-1 receptor | 1 |
| 20071170 | 10.1016/j.bmcl.2009.12.099 | Macrophage-stimulating protein receptor | 1 |
Data from ChEMBL 36 via Core Engine