Compound Detail
CHEMBL269884
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Basic Information
| ChEMBL ID | CHEMBL269884 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UQHQUPSFNPQLNI-UHFFFAOYSA-N |
6
Targets
7
Activities
1
Assay Types
5
PK Parameters
13
Publications
0
Known Names
Molecular Properties
408.9
MW (Da)
5.38
ALogP
5
HBA
3
HBD
102.4
PSA (Ų)
0.42
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.75 | 7.57 | 18.0 | 2 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Vascular endothelial growth factor receptor 1 CHEMBL1868 | IC50 | 7.42 | 7.42 | 38.0 | 1 |
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 7.14 | 7.14 | 72.0 | 1 |
| Angiopoietin-1 receptor CHEMBL4128 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 10548.33 | ng.hr.mL-1 | Mus musculus |
| CL | 15.5 | mL.min-1.kg-1 | Mus musculus |
| F | 99.0 | % | Mus musculus |
| T1/2 | 0.9 | hr | Mus musculus |
| Vd | 1.2 | 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 | = | 18.0 | nM | 7.75 | Inhibition of human KDR phosphorylation in mouse NIH3T3 cells by ELISA | 18260617 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 30.0 | nM | 7.52 | Inhibition of FLT3 by HTRF assay | 18260617 |
| Vascular endothelial growth factor receptor 1 | IC50 | = | 38.0 | nM | 7.42 | Inhibition of FLT1 by HTRF assay | 18260617 |
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 40.0 | nM | 7.4 | Inhibition of CSF1R by HTRF assay | 18260617 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 41.0 | nM | 7.39 | Inhibition of KDR by HTRF assay | 18260617 |
| Mast/stem cell growth factor receptor Kit | IC50 | = | 72.0 | nM | 7.14 | Inhibition of KIT by HTRF assay | 18260617 |
| Angiopoietin-1 receptor | IC50 | = | 1000.0 | nM | 6.0 | 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 | Vascular endothelial growth factor receptor 1 | 1 |
| 18260617 | 10.1021/jm701096v | Macrophage colony-stimulating factor 1 receptor | 1 |
| 18260617 | 10.1021/jm701096v | Platelet-derived growth factor receptor beta | 1 |
| 18260617 | 10.1021/jm701096v | Angiopoietin-1 receptor | 1 |
| 18260617 | 10.1021/jm701096v | Unchecked | 1 |
| 18260617 | 10.1021/jm701096v | Tyrosine-protein kinase HCK | 1 |
| 18260617 | 10.1021/jm701096v | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 18260617 | 10.1021/jm701096v | Tyrosine-protein kinase Lyn | 1 |
| 18260617 | 10.1021/jm701096v | HT-1080 | 1 |
Data from ChEMBL 36 via Core Engine