Compound Detail
CHEMBL213478
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Basic Information
| ChEMBL ID | CHEMBL213478 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XDGHTBHPIPZHLJ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
448.4
MW (Da)
6.29
ALogP
5
HBA
3
HBD
78.5
PSA (Ų)
0.30
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 6.56 | 6.56 | 277.0 | 1 |
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 6.53 | 6.53 | 297.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 5.84 | 5.84 | 1438.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 277.0 | nM | 6.56 | Inhibition of p38-alpha by HTRF kinase assay | 16970394 |
| Tyrosine-protein kinase Lck | IC50 | = | 297.0 | nM | 6.53 | Inhibition of Lck by HTRF kinase assay | 16970394 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 1438.0 | nM | 5.84 | Inhibition of KDR by HTRF kinase assay | 16970394 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16970394 | 10.1021/jm0605482 | Tyrosine-protein kinase Lck | 1 |
| 16970394 | 10.1021/jm0605482 | Vascular endothelial growth factor receptor 2 | 1 |
| 16970394 | 10.1021/jm0605482 | Mitogen-activated protein kinase 14 | 1 |
| 16970394 | 10.1021/jm0605482 | Tyrosine-protein kinase JAK3 | 1 |
Data from ChEMBL 36 via Core Engine