Compound Detail
CHEMBL436806
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Basic Information
| ChEMBL ID | CHEMBL436806 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UFWXSGVSQZKZTR-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
395.4
MW (Da)
5.27
ALogP
5
HBA
3
HBD
106.1
PSA (Ų)
0.39
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 1 CHEMBL1868 | IC50 | 7.62 | 7.62 | 24.0 | 1 |
| Angiopoietin-1 receptor CHEMBL4128 | IC50 | 7.09 | 7.09 | 81.3 | 1 |
| Receptor-interacting serine/threonine-protein kinase 1 CHEMBL5464 | IC50 | 7.0 | 6.55 | 100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 1 | IC50 | = | 23.99 | nM | 7.62 | Inhibition of human VEGFR2 by HTRF method | 17276055 |
| Angiopoietin-1 receptor | IC50 | = | 81.28 | nM | 7.09 | Inhibition of human Tie2 by HTRF method | 17276055 |
| Receptor-interacting serine/threonine-protein kinase 1 | IC50 | = | 100.0 | nM | 7.0 | Displacement of (14-(2-{[3-({2-{[4-(cyanomethyl)phenyl]amino}-6-[(5-cyclopropyl-... | 24900635 |
| Receptor-interacting serine/threonine-protein kinase 1 | IC50 | = | 790.0 | nM | 6.1 | Inhibition of RIP1 in human U937 cells assessed as prevention of TNFalpha/zVAD.f... | 24900635 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900635 | 10.1021/ml400382p | Receptor-interacting serine/threonine-protein kinase 1 | 4 |
| 17276055 | 10.1016/j.bmcl.2006.12.077 | Angiopoietin-1 receptor | 1 |
| 17276055 | 10.1016/j.bmcl.2006.12.077 | Vascular endothelial growth factor receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine