Compound Detail
CHEMBL411632
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Basic Information
| ChEMBL ID | CHEMBL411632 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HZYVHWDHIRWTNY-UHFFFAOYSA-N |
6
Targets
7
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
415.4
MW (Da)
3.89
ALogP
5
HBA
3
HBD
110.0
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 7.85 | 7.34 | 14.0 | 2 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| Lymphocyte CHEMBL612599 | IC50 | 6.97 | 6.97 | 107.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.9 | 6.9 | 125.0 | 1 |
| Blood CHEMBL613416 | IC50 | 5.9 | 5.9 | 1270.0 | 1 |
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 5.47 | 5.47 | 3423.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase Lck | IC50 | = | 14.0 | nM | 7.85 | Inhibition of Lck by HTRF assay | 18321037 |
| Mitogen-activated protein kinase 14 | IC50 | = | 14.0 | nM | 7.85 | Inhibition of p38alpha by HTRF assay | 18321037 |
| Lymphocyte | IC50 | = | 107.0 | nM | 6.97 | Inhibition of T cell activation in human peripheral blood lymphocytes by mixed l... | 18321037 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 125.0 | nM | 6.9 | Inhibition of KDR by HTRF assay | 18321037 |
| Tyrosine-protein kinase Lck | IC50 | = | 149.0 | nM | 6.83 | Inhibition of Lck (unknown origin) after 1 hr by HTRF assay | 24915291 |
| Blood | IC50 | = | 1270.0 | nM | 5.9 | Inhibition of anti-CD3-induced IL2 production in human whole blood by ELISA | 18321037 |
| Tyrosine-protein kinase BTK | IC50 | = | 3423.0 | nM | 5.47 | Inhibition of Btk (unknown origin) after 1 hr by HTRF assay | 24915291 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18321037 | 10.1021/jm7010996 | Blood | 2 |
| 18321037 | 10.1021/jm7010996 | Tyrosine-protein kinase Lck | 1 |
| 18321037 | 10.1021/jm7010996 | Angiopoietin-1 receptor | 1 |
| 18321037 | 10.1021/jm7010996 | Mitogen-activated protein kinase 14 | 1 |
| 18321037 | 10.1021/jm7010996 | Tyrosine-protein kinase JAK3 | 1 |
| 18321037 | 10.1021/jm7010996 | Lymphocyte | 1 |
| 18321037 | 10.1021/jm7010996 | Vascular endothelial growth factor receptor 2 | 1 |
| 24915291 | 10.1021/jm4017762 | Tyrosine-protein kinase BTK | 1 |
| 24915291 | 10.1021/jm4017762 | Tyrosine-protein kinase Lck | 1 |
| 24915291 | 10.1021/jm4017762 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine