Compound Detail
CHEMBL1956898
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1956898 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MXJWLONICANFEW-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
484.4
MW (Da)
4.59
ALogP
8
HBA
2
HBD
96.5
PSA (Ų)
0.40
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-derived growth factor receptor beta CHEMBL1913 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 4.59 | 4.59 | 25700.0 | 1 |
| A-431 CHEMBL614069 | IC50 | 4.41 | 4.41 | 39000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-derived growth factor receptor beta | IC50 | = | 1800.0 | nM | 5.75 | Inhibition of PDGFBB-induced PDGFRbeta autophosphorylation in human SF539 cells ... | 22370340 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 25700.0 | nM | 4.59 | Inhibition of VEGF-induced VEGFR2 autophosphorylation in human U251 cells incuba... | 22370340 |
| A-431 | IC50 | = | 39000.0 | nM | 4.41 | Cytotoxicity against human A431 cells overexpressing EGFR incubated for 12 hrs m... | 22370340 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22370340 | 10.1016/j.bmc.2012.01.029 | Platelet-derived growth factor receptor beta | 2 |
| 22370340 | 10.1016/j.bmc.2012.01.029 | A-431 | 1 |
| 22370340 | 10.1016/j.bmc.2012.01.029 | Epidermal growth factor receptor | 1 |
| 22370340 | 10.1016/j.bmc.2012.01.029 | Vascular endothelial growth factor receptor 1 | 1 |
| 22370340 | 10.1016/j.bmc.2012.01.029 | Vascular endothelial growth factor receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine