Compound Detail
CHEMBL507056
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Basic Information
| ChEMBL ID | CHEMBL507056 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OFLIHYXEJVKHNC-UHFFFAOYSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
318.4
MW (Da)
3.23
ALogP
3
HBA
1
HBD
43.3
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NUAK family SNF1-like kinase 1 CHEMBL5784 | IC50 | 5.44 | 5.44 | 3600.0 | 1 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
| Vascular endothelial growth factor receptor 3 CHEMBL1955 | IC50 | 4.75 | 4.75 | 18000.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 4.51 | 4.51 | 31000.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 4.41 | 4.41 | 39000.0 | 1 |
| Serine/threonine-protein kinase PLK4 CHEMBL3788 | IC50 | 4.34 | 4.34 | 46000.0 | 1 |
| Angiopoietin-1 receptor CHEMBL4128 | IC50 | 4.32 | 4.32 | 48000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NUAK family SNF1-like kinase 1 | IC50 | = | 3600.0 | nM | 5.44 | Inhibition of human recombinant ARK5 | 18529047 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 14000.0 | nM | 4.85 | Inhibition of human recombinant FLT3 | 18529047 |
| Vascular endothelial growth factor receptor 3 | IC50 | = | 18000.0 | nM | 4.75 | Inhibition of human recombinant VEGFR3 | 18529047 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 31000.0 | nM | 4.51 | Inhibition of human recombinant VEGFR2 | 18529047 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 39000.0 | nM | 4.41 | Inhibition of human recombinant SRC | 18529047 |
| Serine/threonine-protein kinase PLK4 | IC50 | = | 46000.0 | nM | 4.34 | Inhibition of human recombinant SAK | 18529047 |
| Angiopoietin-1 receptor | IC50 | = | 48000.0 | nM | 4.32 | Inhibition of human recombinant TIE2 | 18529047 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18529047 | 10.1021/jm8001185 | NUAK family SNF1-like kinase 1 | 1 |
| 18529047 | 10.1021/jm8001185 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 18529047 | 10.1021/jm8001185 | Vascular endothelial growth factor receptor 2 | 1 |
| 18529047 | 10.1021/jm8001185 | Vascular endothelial growth factor receptor 3 | 1 |
| 18529047 | 10.1021/jm8001185 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 18529047 | 10.1021/jm8001185 | Serine/threonine-protein kinase PLK4 | 1 |
| 18529047 | 10.1021/jm8001185 | Angiopoietin-1 receptor | 1 |
Data from ChEMBL 36 via Core Engine