Compound Detail
CHEMBL221019
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Basic Information
| ChEMBL ID | CHEMBL221019 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AIMHAFQTBGSBMF-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
431.4
MW (Da)
5.61
ALogP
3
HBA
1
HBD
54.9
PSA (Ų)
0.42
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Angiopoietin-1 receptor CHEMBL4128 | IC50 | 7.07 | 7.07 | 85.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 4.0 | nM | 8.4 | Inhibition of KDR | 17253679 |
| Tyrosine-protein kinase Lck | IC50 | = | 4.0 | nM | 8.4 | Inhibition of LCK | 17253679 |
| Angiopoietin-1 receptor | IC50 | = | 85.0 | nM | 7.07 | Inhibition of TIE2 by HTRF assay | 17253679 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17253679 | 10.1021/jm061112p | Angiopoietin-1 receptor | 1 |
| 17253679 | 10.1021/jm061112p | Vascular endothelial growth factor receptor 2 | 1 |
| 17253679 | 10.1021/jm061112p | Tyrosine-protein kinase Lck | 1 |
Data from ChEMBL 36 via Core Engine