Compound Detail
CHEMBL1929554
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Basic Information
| ChEMBL ID | CHEMBL1929554 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PRZWTILSLPADKE-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
417.9
MW (Da)
5.82
ALogP
4
HBA
3
HBD
79.6
PSA (Ų)
0.34
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A-431 CHEMBL614069 | IC50 | 5.07 | 5.07 | 8500.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 4.49 | 4.49 | 32100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A-431 | IC50 | = | 8500.0 | nM | 5.07 | Cytotoxicity against EGFR overexpressing human A431 after 12 hrs by cyquant DNA ... | 22204741 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 32100.0 | nM | 4.49 | 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 | Vascular endothelial growth factor receptor 2 | 3 |
| 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 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