Compound Detail
CHEMBL221121
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Basic Information
| ChEMBL ID | CHEMBL221121 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QJPWLLXUZHFJGQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
381.4
MW (Da)
4.84
ALogP
5
HBA
2
HBD
79.8
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.36 | 6.36 | 435.0 | 1 |
| Angiopoietin-1 receptor CHEMBL4128 | IC50 | 5.91 | 5.91 | 1220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 435.0 | nM | 6.36 | Inhibition of KDR by HTRF assay | 17253678 |
| Angiopoietin-1 receptor | IC50 | = | 1220.0 | nM | 5.91 | Inhibition of Tie2 by HTRF assay | 17253678 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17253678 | 10.1021/jm061107l | Angiopoietin-1 receptor | 1 |
| 17253678 | 10.1021/jm061107l | Vascular endothelial growth factor receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine