Compound Detail
CHEMBL1086675
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CCCc1c(C(=O)Nc2ccc(Oc3ccnc4cc(-c5cn(C)cn5)sc34)c(F)c2)cnn1-c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL1086675 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UVABKUWKYDJFPD-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
552.6
MW (Da)
7.02
ALogP
8
HBA
1
HBD
86.9
PSA (Ų)
0.22
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
| Macrophage-stimulating protein receptor CHEMBL2689 | IC50 | 6.68 | 6.68 | 210.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor receptor | IC50 | = | 70.0 | nM | 7.16 | Inhibition of c-Met | 20363625 |
| Macrophage-stimulating protein receptor | IC50 | = | 210.0 | nM | 6.68 | Inhibition of TPR-tagged RON catalytic domain expressed in HEK293 cells | 20363625 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 1900.0 | nM | 5.72 | Inhibition of VEGFR2 | 20363625 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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