Compound Detail
CHEMBL404718
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Basic Information
| ChEMBL ID | CHEMBL404718 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MQCFWAKOIXTUQK-KVSWJAHQSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
413.5
MW (Da)
3.82
ALogP
5
HBA
2
HBD
84.3
PSA (Ų)
0.40
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 8.7 | 8.55 | 2.0 | 2 |
| Angiopoietin-1 receptor CHEMBL4128 | IC50 | 7.64 | 7.64 | 23.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 2.0 | nM | 8.7 | Inhibition of human recombinant VEGFR2 by HTRF assay | 18308565 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 4.0 | nM | 8.4 | Inhibition of VEGF-stimulated VEGFR2 autophosphorylation in HUVEC cells at 50 nM... | 18308565 |
| Angiopoietin-1 receptor | IC50 | = | 23.0 | nM | 7.64 | Inhibition of human recombinant TIE2 by HTRF assay | 18308565 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18308565 | 10.1016/j.bmcl.2008.02.001 | Vascular endothelial growth factor receptor 2 | 2 |
| 18308565 | 10.1016/j.bmcl.2008.02.001 | Angiopoietin-1 receptor | 1 |
Data from ChEMBL 36 via Core Engine