Compound Detail
CHEMBL1929557
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 | CHEMBL1929557 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HYEKNWJYVDRRLK-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
409.9
MW (Da)
4.55
ALogP
6
HBA
3
HBD
98.1
PSA (Ų)
0.43
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A-431 CHEMBL614069 | IC50 | 5.24 | 5.24 | 5800.0 | 1 |
| Vascular endothelial growth factor receptor 1 CHEMBL1868 | IC50 | 4.82 | 4.82 | 15200.0 | 1 |
| Platelet-derived growth factor receptor beta CHEMBL1913 | IC50 | 4.35 | 4.35 | 44300.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 4.25 | 4.25 | 56700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A-431 | IC50 | = | 5800.0 | nM | 5.24 | Cytotoxicity against EGFR overexpressing human A431 after 12 hrs by cyquant DNA ... | 22204741 |
| Vascular endothelial growth factor receptor 1 | IC50 | = | 15200.0 | nM | 4.82 | Inhibition of VEGFR1 tyrosine kinase activity in VEGF-stimulated human A498 cell... | 22204741 |
| Platelet-derived growth factor receptor beta | IC50 | = | 44300.0 | nM | 4.35 | Inhibition of PDGFRbeta tyrosine kinase activity in PDGF-BB-stimulated human SF-... | 22204741 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 56700.0 | nM | 4.25 | Inhibition of VEGFR2 tyrosine kinase activity in VEGF-stimulated human U251 cell... | 22204741 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22204741 | 10.1016/j.bmc.2011.11.058 | Epidermal growth factor receptor | 1 |
| 22204741 | 10.1016/j.bmc.2011.11.058 | Vascular endothelial growth factor receptor 2 | 1 |
| 22204741 | 10.1016/j.bmc.2011.11.058 | Vascular endothelial growth factor receptor 1 | 1 |
| 22204741 | 10.1016/j.bmc.2011.11.058 | Platelet-derived growth factor receptor beta | 1 |
| 22204741 | 10.1016/j.bmc.2011.11.058 | A-431 | 1 |
Data from ChEMBL 36 via Core Engine