Compound Detail
CHEMBL304113
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Basic Information
| ChEMBL ID | CHEMBL304113 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PWEMILVNKQAISL-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
389.4
MW (Da)
4.96
ALogP
7
HBA
1
HBD
109.1
PSA (Ų)
0.38
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 7.42 | 7.42 | 38.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.68 | 6.0533 | 208.0 | 3 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
| Angiopoietin-1 receptor CHEMBL4128 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase Lck | IC50 | = | 38.0 | nM | 7.42 | Inhibition of p56 Lck tyrosine kinase (catalytic domain) | 11012022 |
| Unchecked | IC50 | = | 208.0 | nM | 6.68 | Inhibition of src, in presence of 1 mM ATP | 11012022 |
| Unchecked | IC50 | = | 790.0 | nM | 6.1 | Inhibition of p56 Lck tyrosine kinase, in presence of 1 mM ATP | 11012022 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 900.0 | nM | 6.05 | Inhibitory activity against vascular endothelial growth factor receptor 2 (VEGFR... | 11012022 |
| Angiopoietin-1 receptor | IC50 | = | 1900.0 | nM | 5.72 | Inhibitory activity against tie-2 at a concentration of 5 uM ATP. | 11012022 |
| Unchecked | IC50 | = | 4130.0 | nM | 5.38 | Inhibition of p56 Lck tyrosine kinase (catalytic domain), in presence of 1 mM AT... | 11012022 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11012022 | 10.1016/s0960-894x(00)00442-x | Unchecked | 3 |
| 11012022 | 10.1016/s0960-894x(00)00442-x | Tyrosine-protein kinase Lck | 2 |
| 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