Compound Detail
CHEMBL1096415
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Basic Information
| ChEMBL ID | CHEMBL1096415 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XYZHMUBWCKVNFD-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
400.4
MW (Da)
5.64
ALogP
3
HBA
2
HBD
53.6
PSA (Ų)
0.43
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A-431 CHEMBL614069 | IC50 | 4.71 | 4.71 | 19600.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 4.24 | 4.24 | 57500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A-431 | IC50 | = | 19600.0 | nM | 4.71 | Antiangiogenic activity against human A431 cells | 20403693 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 57500.0 | nM | 4.24 | Inhibition of VEGFR2 | 20403693 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20403693 | 10.1016/j.bmcl.2010.03.064 | A-431 | 2 |
| 20403693 | 10.1016/j.bmcl.2010.03.064 | Epidermal growth factor receptor | 1 |
| 20403693 | 10.1016/j.bmcl.2010.03.064 | Vascular endothelial growth factor receptor 1 | 1 |
| 20403693 | 10.1016/j.bmcl.2010.03.064 | Vascular endothelial growth factor receptor 2 | 1 |
| 20403693 | 10.1016/j.bmcl.2010.03.064 | Platelet-derived growth factor receptor beta | 1 |
Data from ChEMBL 36 via Core Engine