Compound Detail
CHEMBL69649
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Basic Information
| ChEMBL ID | CHEMBL69649 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NJSMJBCABAFTHE-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
388.5
MW (Da)
5.24
ALogP
6
HBA
1
HBD
75.2
PSA (Ų)
0.52
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
| Angiopoietin-1 receptor CHEMBL4128 | IC50 | 5.91 | 5.91 | 1220.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 5.88 | 5.88 | 1310.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase Lck | IC50 | = | 70.0 | nM | 7.16 | Inhibition of p56 Lck tyrosine kinase (catalytic domain) | 11012022 |
| Angiopoietin-1 receptor | IC50 | = | 1220.0 | nM | 5.91 | Inhibitory activity against tie-2 at a concentration of 5 uM ATP. | 11012022 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 1310.0 | nM | 5.88 | Inhibitory activity against vascular endothelial growth factor receptor 2 (VEGFR... | 11012022 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11012022 | 10.1016/s0960-894x(00)00442-x | Tyrosine-protein kinase Lck | 4 |
| 11012022 | 10.1016/s0960-894x(00)00442-x | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 11012022 | 10.1016/s0960-894x(00)00442-x | Vascular endothelial growth factor receptor 2 | 1 |
| 11012022 | 10.1016/s0960-894x(00)00442-x | Angiopoietin-1 receptor | 1 |
Data from ChEMBL 36 via Core Engine