Compound Detail
CHEMBL196841
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Basic Information
| ChEMBL ID | CHEMBL196841 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YPTADYIVARXAPS-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
456.5
MW (Da)
5.18
ALogP
6
HBA
2
HBD
111.1
PSA (Ų)
0.38
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.44 | 7.44 | 36.0 | 2 |
| Angiopoietin-1 receptor CHEMBL4128 | IC50 | 6.72 | 6.72 | 190.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 36.0 | nM | 7.44 | Inhibitory concentration against human vascular endothelial growth factor recept... | 15837294 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 36.31 | nM | 7.44 | Inhibition of KDR | 17293140 |
| Angiopoietin-1 receptor | IC50 | = | 190.0 | nM | 6.72 | Inhibitory concentration against human tyrosine protein kinase receptor TIE-2 | 15837294 |
| Angiopoietin-1 receptor | IC50 | = | 190.55 | nM | 6.72 | Inhibition of Tie2 | 17293140 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15837294 | 10.1016/j.bmcl.2005.03.034 | Angiopoietin-1 receptor | 1 |
| 15837294 | 10.1016/j.bmcl.2005.03.034 | Vascular endothelial growth factor receptor 2 | 1 |
| 17293140 | 10.1016/j.jmgm.2006.12.001 | Vascular endothelial growth factor receptor 2 | 1 |
| 17293140 | 10.1016/j.jmgm.2006.12.001 | Angiopoietin-1 receptor | 1 |
Data from ChEMBL 36 via Core Engine