Compound Detail
CHEMBL270084
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
Basic Information
| ChEMBL ID | CHEMBL270084 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SWNPCLQLHUWVAZ-UHFFFAOYSA-N |
7
Targets
8
Activities
1
Assay Types
5
PK Parameters
14
Publications
0
Known Names
Molecular Properties
406.4
MW (Da)
5.18
ALogP
5
HBA
3
HBD
102.4
PSA (Ų)
0.43
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 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 | 7.69 | 20.0 | 2 |
| Vascular endothelial growth factor receptor 1 CHEMBL1868 | IC50 | 7.62 | 7.62 | 24.0 | 1 |
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 7.57 | 7.57 | 27.0 | 1 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 7.44 | 7.44 | 36.0 | 1 |
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 7.37 | 7.37 | 43.0 | 1 |
| Platelet-derived growth factor receptor beta CHEMBL1913 | IC50 | 7.02 | 7.02 | 96.0 | 1 |
| Angiopoietin-1 receptor CHEMBL4128 | IC50 | 6.6 | 6.6 | 249.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 3454.57 | ng.hr.mL-1 | Mus musculus |
| CL | 16.67 | mL.min-1.kg-1 | Mus musculus |
| F | 34.0 | % | Mus musculus |
| T1/2 | 0.66 | hr | Mus musculus |
| Vd | 0.94 | L.kg-1 | Mus musculus |
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 human KDR phosphorylation in mouse NIH3T3 cells by ELISA | 18260617 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 21.0 | nM | 7.68 | Inhibition of KDR by HTRF assay | 18260617 |
| Vascular endothelial growth factor receptor 1 | IC50 | = | 24.0 | nM | 7.62 | Inhibition of FLT1 by HTRF assay | 18260617 |
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 27.0 | nM | 7.57 | Inhibition of CSF1R by HTRF assay | 18260617 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 36.0 | nM | 7.44 | Inhibition of FLT3 by HTRF assay | 18260617 |
| Mast/stem cell growth factor receptor Kit | IC50 | = | 43.0 | nM | 7.37 | Inhibition of KIT by HTRF assay | 18260617 |
| Platelet-derived growth factor receptor beta | IC50 | = | 96.0 | nM | 7.02 | Inhibition of PDGFRbeta by HTRF assay | 18260617 |
| Angiopoietin-1 receptor | IC50 | = | 249.0 | nM | 6.6 | Inhibition of TIE2 by HTRF assay | 18260617 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18260617 | 10.1021/jm701096v | Mus musculus | 6 |
| 18260617 | 10.1021/jm701096v | Vascular endothelial growth factor receptor 2 | 2 |
| 18260617 | 10.1021/jm701096v | Mast/stem cell growth factor receptor Kit | 1 |
| 18260617 | 10.1021/jm701096v | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 18260617 | 10.1021/jm701096v | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 18260617 | 10.1021/jm701096v | Vascular endothelial growth factor receptor 1 | 1 |
| 18260617 | 10.1021/jm701096v | Platelet-derived growth factor receptor beta | 1 |
| 18260617 | 10.1021/jm701096v | Macrophage colony-stimulating factor 1 receptor | 1 |
| 18260617 | 10.1021/jm701096v | Unchecked | 1 |
| 18260617 | 10.1021/jm701096v | Angiopoietin-1 receptor | 1 |
| 18260617 | 10.1021/jm701096v | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 18260617 | 10.1021/jm701096v | Tyrosine-protein kinase HCK | 1 |
| 18260617 | 10.1021/jm701096v | Tyrosine-protein kinase Lyn | 1 |
| 18260617 | 10.1021/jm701096v | HT-1080 | 1 |
Data from ChEMBL 36 via Core Engine