Compound Detail
CHEMBL3822791
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Basic Information
| ChEMBL ID | CHEMBL3822791 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XEKDPXXEVXIHAC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
355.4
MW (Da)
3.99
ALogP
6
HBA
1
HBD
72.0
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-interacting serine/threonine-protein kinase 2 CHEMBL5014 | IC50 | 8.2 | 8.2 | 6.3 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 5.62 | 5.62 | 2385.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-interacting serine/threonine-protein kinase 2 | IC50 | = | 6.3 | nM | 8.2 | Competitive inhibition of full length FLAG-His-tagged RIP2K (unknown origin) exp... | 27109867 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 2385.0 | nM | 5.62 | Inhibition of VEGFR2(unknown origin) | 27109867 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27109867 | 10.1021/acs.jmedchem.6b00211 | Receptor-interacting serine/threonine-protein kinase 2 | 1 |
| 27109867 | 10.1021/acs.jmedchem.6b00211 | Mitogen-activated protein kinase 14 | 1 |
| 27109867 | 10.1021/acs.jmedchem.6b00211 | Vascular endothelial growth factor receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine