Compound Detail
CHEMBL68774
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Basic Information
| ChEMBL ID | CHEMBL68774 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PAHKLGUKLSFIBQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
370.5
MW (Da)
5.59
ALogP
5
HBA
1
HBD
66.0
PSA (Ų)
0.51
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 6.41 | 6.41 | 390.0 | 1 |
| Angiopoietin-1 receptor CHEMBL4128 | IC50 | 5.31 | 5.31 | 4900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase Lck | IC50 | = | 390.0 | nM | 6.41 | Inhibition of p56 Lck tyrosine kinase at 5 uM ATP | 11012021 |
| Angiopoietin-1 receptor | IC50 | = | 4900.0 | nM | 5.31 | Inhibition of tie-2 at 5 uM 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