Compound Detail
CHEMBL2337368
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Basic Information
| ChEMBL ID | CHEMBL2337368 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OWTAPYYEOHRLCY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
436.0
MW (Da)
6.62
ALogP
4
HBA
3
HBD
82.7
PSA (Ų)
0.34
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 4.41 | 4.41 | 39200.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 4.32 | 4.32 | 47800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 39200.0 | nM | 4.41 | Inhibition of EGFR in human A431 cells assessed as inhibition of EGF-induced tyr... | 23434139 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 47800.0 | nM | 4.32 | Inhibition of VEGFR2 in human U251 cells assessed as inhibition of VEGF-induced ... | 23434139 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23434139 | 10.1016/j.bmc.2013.01.040 | A-431 | 1 |
| 23434139 | 10.1016/j.bmc.2013.01.040 | Platelet-derived growth factor receptor beta | 1 |
| 23434139 | 10.1016/j.bmc.2013.01.040 | Epidermal growth factor receptor | 1 |
| 23434139 | 10.1016/j.bmc.2013.01.040 | Vascular endothelial growth factor receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine