Compound Detail
CHEMBL393636
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Basic Information
| ChEMBL ID | CHEMBL393636 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SCHFNRDBLZXSFE-WDZFZDKYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
226.2
MW (Da)
2.21
ALogP
2
HBA
3
HBD
65.1
PSA (Ų)
0.52
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 1 CHEMBL1868 | IC50 | 6.94 | 6.94 | 115.5 | 1 |
| 3-phosphoinositide-dependent protein kinase 1 CHEMBL2534 | IC50 | 6.47 | 6.47 | 340.0 | 1 |
| Platelet-derived growth factor receptor alpha CHEMBL2007 | IC50 | 6.39 | 6.39 | 406.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.39 | 6.39 | 405.5 | 1 |
| Platelet-derived growth factor receptor beta CHEMBL1913 | IC50 | 6.2 | 6.2 | 637.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 1 | IC50 | = | 115.5 | nM | 6.94 | Inhibition of VEGFR1 (unknown origin) | - |
| 3-phosphoinositide-dependent protein kinase 1 | IC50 | = | 340.0 | nM | 6.47 | Inhibition of PDK1 mediated cAKT2 phosphorylation by AKT2 activation assay | 17531483 |
| Platelet-derived growth factor receptor alpha | IC50 | = | 406.0 | nM | 6.39 | Inhibition of PDGFRa (unknown origin) | - |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 405.5 | nM | 6.39 | Inhibition of VEGFR2 (unknown origin) | - |
| Platelet-derived growth factor receptor beta | IC50 | = | 637.0 | nM | 6.2 | Inhibition of PDGFRb (unknown origin) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C4MD00211C | MDA-MB-231 | 2 |
| 17531483 | 10.1016/j.bmcl.2007.04.071 | 3-phosphoinositide-dependent protein kinase 1 | 1 |
| - | 10.1039/C4MD00211C | Platelet-derived growth factor receptor beta | 1 |
| - | 10.1039/C4MD00211C | Platelet-derived growth factor receptor alpha | 1 |
| - | 10.1039/C4MD00211C | Vascular endothelial growth factor receptor 2 | 1 |
| - | 10.1039/C4MD00211C | Vascular endothelial growth factor receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine