Compound Detail
CHEMBL205108
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Basic Information
| ChEMBL ID | CHEMBL205108 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UYTRUCYRZKTLND-UHFFFAOYSA-N |
5
Targets
5
Activities
2
Assay Types
4
PK Parameters
6
Publications
0
Known Names
Molecular Properties
362.4
MW (Da)
2.30
ALogP
7
HBA
3
HBD
113.2
PSA (Ų)
0.50
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.7
EC50 1 meas. best 7.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL3337 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Vascular endothelial growth factor receptor 1 CHEMBL1868 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Platelet-derived growth factor receptor beta CHEMBL2749 | IC50 | 7.19 | 7.19 | 64.0 | 1 |
| HMEC CHEMBL614734 | EC50 | 7.08 | 7.08 | 84.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 24.0 | mL.min-1.kg-1 | Mus musculus |
| F | 87.0 | % | Mus musculus |
| T1/2 | 0.4333 | hr | Mus musculus |
| T1/2 | 1.3 | 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 | = | 2.0 | nM | 8.7 | Inhibitory activity against VEGFR2 | 16446087 |
| Vascular endothelial growth factor receptor 1 | IC50 | = | 4.0 | nM | 8.4 | Inhibitory activity against VEGFR1 | 16446087 |
| Fibroblast growth factor receptor 1 | IC50 | = | 10.0 | nM | 8.0 | Inhibitory activity against FGFR1 | 16446087 |
| Platelet-derived growth factor receptor beta | IC50 | = | 64.0 | nM | 7.19 | Inhibitory activity against PDGFRbeta | 16446087 |
| HMEC | EC50 | = | 84.0 | nM | 7.08 | Activity against HMVEC | 16446087 |
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 |
Data from ChEMBL 36 via Core Engine