Compound Detail
CHEMBL3403515
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Basic Information
| ChEMBL ID | CHEMBL3403515 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OOMQDNGMHFWFTE-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
295.3
MW (Da)
3.54
ALogP
5
HBA
0
HBD
51.4
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.68 | 7.68 | 20.9 | 1 |
| A-431 CHEMBL614069 | IC50 | 7.38 | 7.38 | 42.2 | 1 |
| Platelet-derived growth factor receptor beta CHEMBL1913 | IC50 | 7.13 | 7.13 | 73.2 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.99 | 6.99 | 103.2 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.42 | 4.42 | 38200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 20.9 | nM | 7.68 | Inhibition of VEGFR2 in human U251 cells compound pretreated for 60 min before V... | 25882519 |
| A-431 | IC50 | = | 42.2 | nM | 7.38 | Antiproliferative activity against human A431 cells after 48 hrs by sulforhodami... | 25882519 |
| Platelet-derived growth factor receptor beta | IC50 | = | 73.2 | nM | 7.13 | Inhibition of PDGFR-beta in human U251 cells compound pretreated for 60 min befo... | 25882519 |
| Epidermal growth factor receptor | IC50 | = | 103.2 | nM | 6.99 | Inhibition of EGFR in human A431 cells compound pretreated for 60 min before EGF... | 25882519 |
| NON-PROTEIN TARGET | IC50 | = | 38200.0 | nM | 4.42 | Antiangiogenic activity in VEGF-165 and bFGF-stimulated chicken embryo chorioall... | 25882519 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25882519 | 10.1016/j.bmc.2015.03.061 | NON-PROTEIN TARGET | 3 |
| 25882519 | 10.1016/j.bmc.2015.03.061 | HeLa | 3 |
| 25882519 | 10.1016/j.bmc.2015.03.061 | Unchecked | 2 |
| 25882519 | 10.1016/j.bmc.2015.03.061 | Epidermal growth factor receptor | 1 |
| 25882519 | 10.1016/j.bmc.2015.03.061 | Vascular endothelial growth factor receptor 2 | 1 |
| 25882519 | 10.1016/j.bmc.2015.03.061 | Platelet-derived growth factor receptor beta | 1 |
| 25882519 | 10.1016/j.bmc.2015.03.061 | A-431 | 1 |
| 25882519 | 10.1016/j.bmc.2015.03.061 | MDA-MB-435 | 1 |
| 25882519 | 10.1016/j.bmc.2015.03.061 | SK-OV-3 | 1 |
Data from ChEMBL 36 via Core Engine