Compound Detail
CHEMBL419082
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Basic Information
| ChEMBL ID | CHEMBL419082 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XBTDIGWGOZVBHQ-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
386.5
MW (Da)
4.56
ALogP
6
HBA
2
HBD
86.2
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 6.62 | 6.25 | 240.0 | 2 |
| Angiopoietin-1 receptor CHEMBL4128 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 40.0 | nM | 7.4 | Inhibition of src at 5 mM ATP | 11012021 |
| Tyrosine-protein kinase Lck | IC50 | = | 240.0 | nM | 6.62 | Inhibition of p56 Lck tyrosine kinase at 1 mM ATP | 11012021 |
| Angiopoietin-1 receptor | IC50 | = | 600.0 | nM | 6.22 | Inhibition of tie-2 at 5 uM ATP | 11012021 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of Vascular endothelial growth factor receptor 2 at 5 uM ATP | 11012021 |
| Tyrosine-protein kinase Lck | IC50 | = | 1320.0 | nM | 5.88 | Inhibition of p56 Lck tyrosine kinase catalytic domain at 1 mM ATP | 11012021 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11012021 | 10.1016/s0960-894x(00)00441-8 | Tyrosine-protein kinase Lck | 4 |
| 11012021 | 10.1016/s0960-894x(00)00441-8 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 11012021 | 10.1016/s0960-894x(00)00441-8 | Vascular endothelial growth factor receptor 2 | 1 |
| 11012021 | 10.1016/s0960-894x(00)00441-8 | Angiopoietin-1 receptor | 1 |
Data from ChEMBL 36 via Core Engine