Compound Detail
CHEMBL205305
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Basic Information
| ChEMBL ID | CHEMBL205305 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DOTKFWRQMGDIDY-UHFFFAOYSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
266.3
MW (Da)
1.74
ALogP
5
HBA
4
HBD
116.5
PSA (Ų)
0.42
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.49
EC50 1 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-derived growth factor receptor beta CHEMBL2749 | IC50 | 6.49 | 6.49 | 326.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL3337 | IC50 | 6.29 | 6.29 | 507.0 | 1 |
| Vascular endothelial growth factor receptor 1 CHEMBL1868 | IC50 | 6.16 | 6.16 | 691.0 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 5.5 | 5.5 | 3170.0 | 1 |
| HMEC CHEMBL614734 | EC50 | 5.42 | 5.42 | 3820.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-derived growth factor receptor beta | IC50 | = | 326.0 | nM | 6.49 | Inhibitory activity against PDGFRbeta | 16446087 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 507.0 | nM | 6.29 | Inhibitory activity against VEGFR2 | 16446087 |
| Vascular endothelial growth factor receptor 1 | IC50 | = | 691.0 | nM | 6.16 | Inhibitory activity against VEGFR1 | 16446087 |
| Fibroblast growth factor receptor 1 | IC50 | = | 3170.0 | nM | 5.5 | Inhibitory activity against FGFR1 | 16446087 |
| HMEC | EC50 | = | 3820.0 | nM | 5.42 | Activity against HMVEC | 16446087 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 |
Data from ChEMBL 36 via Core Engine