Compound Detail
CHEMBL271375
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Basic Information
| ChEMBL ID | CHEMBL271375 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ROAQTOJEPYCOEK-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
430.4
MW (Da)
4.28
ALogP
5
HBA
4
HBD
122.0
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 7.2 | 7.2 | 63.0 | 1 |
| Lymphocyte CHEMBL612599 | IC50 | 6.8 | 6.8 | 158.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.23 | 6.23 | 587.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase Lck | IC50 | = | 63.0 | nM | 7.2 | Inhibition of Lck by HTRF assay | 18321037 |
| Lymphocyte | IC50 | = | 158.0 | nM | 6.8 | Inhibition of T cell activation in human peripheral blood lymphocytes by mixed l... | 18321037 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 587.0 | nM | 6.23 | Inhibition of KDR by HTRF assay | 18321037 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18321037 | 10.1021/jm7010996 | Tyrosine-protein kinase Lck | 1 |
| 18321037 | 10.1021/jm7010996 | Angiopoietin-1 receptor | 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 |
Data from ChEMBL 36 via Core Engine