Compound Detail
CHEMBL600632
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Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=O)CC(Nc5ccccc5)C(F)(F)F)cc4F)c3s2)c1
Basic Information
| ChEMBL ID | CHEMBL600632 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UXBXTSWBNHTFRX-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
555.6
MW (Da)
7.00
ALogP
7
HBA
2
HBD
81.1
PSA (Ų)
0.20
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.68 | 6.68 | 210.0 | 2 |
| Macrophage-stimulating protein receptor CHEMBL2689 | IC50 | 6.39 | 6.39 | 410.0 | 1 |
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 6.16 | 6.16 | 700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 210.0 | nM | 6.68 | Inhibition of recombinant GST-fused VEGFR2 expressed in baculovirus infected Sf9... | 20071170 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 210.0 | nM | 6.68 | Inhibition of VEGFR2 | 20363625 |
| Macrophage-stimulating protein receptor | IC50 | = | 410.0 | nM | 6.39 | Inhibition of TPR-tagged RON catalytic domain expressed in HEK293 cells | 20363625 |
| Hepatocyte growth factor receptor | IC50 | = | 700.0 | nM | 6.16 | Inhibition of recombinant GST-fused c-Met expressed in baculovirus infected high... | 20071170 |
| Hepatocyte growth factor receptor | IC50 | = | 700.0 | nM | 6.16 | Inhibition of c-Met | 20363625 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 |
| 20363625 | 10.1016/j.bmcl.2010.03.073 | Macrophage-stimulating protein receptor | 1 |
| 20363625 | 10.1016/j.bmcl.2010.03.073 | Hepatocyte growth factor receptor | 1 |
| 20363625 | 10.1016/j.bmcl.2010.03.073 | Vascular endothelial growth factor receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine