Compound Detail
CHEMBL204426
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Basic Information
| ChEMBL ID | CHEMBL204426 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JZGWDENJLOXKLZ-UHFFFAOYSA-N |
8
Targets
9
Activities
2
Assay Types
4
PK Parameters
10
Publications
0
Known Names
Molecular Properties
361.4
MW (Da)
2.49
ALogP
5
HBA
3
HBD
100.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.4
EC50 2 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL3337 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Platelet-derived growth factor receptor beta CHEMBL1913 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Vascular endothelial growth factor receptor 1 CHEMBL1868 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 7.68 | 7.6 | 21.0 | 2 |
| Platelet-derived growth factor receptor beta CHEMBL2749 | IC50 | 7.42 | 7.42 | 38.0 | 1 |
| HMEC CHEMBL614734 | EC50 | 7.4 | 7.4 | 40.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 7.29 | 7.29 | 51.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.24 | 7.24 | 57.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 13.0 | mL.min-1.kg-1 | Mus musculus |
| F | 100.0 | % | Mus musculus |
| T1/2 | 1.183 | hr | Mus musculus |
| T1/2 | 3.6 | hr | 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 | = | 4.0 | nM | 8.4 | Inhibitory activity against VEGFR2 | 16446087 |
| Platelet-derived growth factor receptor beta | IC50 | = | 5.0 | nM | 8.3 | Inhibition of human recombinant PDGFRbeta | 19113866 |
| Vascular endothelial growth factor receptor 1 | IC50 | = | 12.0 | nM | 7.92 | Inhibitory activity against VEGFR1 | 16446087 |
| Fibroblast growth factor receptor 1 | IC50 | = | 21.0 | nM | 7.68 | Inhibitory activity against FGFR1 | 16446087 |
| Fibroblast growth factor receptor 1 | IC50 | = | 30.0 | nM | 7.52 | Inhibition of human recombinant FGFR1 | 19113866 |
| Platelet-derived growth factor receptor beta | IC50 | = | 38.0 | nM | 7.42 | Inhibitory activity against PDGFRbeta | 16446087 |
| HMEC | EC50 | = | 40.0 | nM | 7.4 | Activity against HMVEC | 16446087 |
| NON-PROTEIN TARGET | EC50 | = | 51.0 | nM | 7.29 | Inhibition of VEGF-mediated proliferation of HMVEC after 72 hrs | 19113866 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 57.0 | nM | 7.24 | Inhibition of human recombinant VEGFR2 | 19113866 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16446087 | 10.1016/j.bmcl.2006.01.020 | Mus musculus | 4 |
| 16446087 | 10.1016/j.bmcl.2006.01.020 | Vascular endothelial growth factor receptor 1 | 1 |
| 16446087 | 10.1016/j.bmcl.2006.01.020 | Vascular endothelial growth factor receptor 2 | 1 |
| 16446087 | 10.1016/j.bmcl.2006.01.020 | Platelet-derived growth factor receptor beta | 1 |
| 16446087 | 10.1016/j.bmcl.2006.01.020 | Fibroblast growth factor receptor 1 | 1 |
| 16446087 | 10.1016/j.bmcl.2006.01.020 | HMEC | 1 |
| 19113866 | 10.1021/jm800790t | Vascular endothelial growth factor receptor 2 | 1 |
| 19113866 | 10.1021/jm800790t | Fibroblast growth factor receptor 1 | 1 |
| 19113866 | 10.1021/jm800790t | Platelet-derived growth factor receptor beta | 1 |
| 19113866 | 10.1021/jm800790t | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine