Compound Detail
CHEMBL5563563
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Basic Information
| ChEMBL ID | CHEMBL5563563 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AYUIWEJHSKEPFQ-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
397.5
MW (Da)
3.90
ALogP
5
HBA
3
HBD
96.4
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 8.62 | 8.62 | 2.4 | 1 |
| Tyrosine-protein kinase JAK1 CHEMBL2968 | IC50 | 6.64 | 6.64 | 230.0 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 6.07 | 6.07 | 845.0 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL1649049 | IC50 | 5.19 | 5.19 | 6460.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 | IC50 | = | 2.4 | nM | 8.62 | Inhibition of recombinant JAK1 (unknown origin) using GFP-STAT1 as substrate inc... | 38359535 |
| Tyrosine-protein kinase JAK1 | IC50 | = | 230.0 | nM | 6.64 | Inhibition of JAK1 in mouse Ba/F3-TEL-JAK1 cells assessed as inhibition of JAK1-... | 38359535 |
| Tyrosine-protein kinase JAK2 | IC50 | = | 845.0 | nM | 6.07 | Inhibition of JAK2 (unknown origin) using GFP-STAT1 as substrate incubated for 1... | 38359535 |
| Tyrosine-protein kinase JAK2 | IC50 | = | 6460.0 | nM | 5.19 | Inhibition of JAK2 in mouse Ba/F3-TEL-JAK2 cells assessed as inhibition of JAK1-... | 38359535 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38359535 | 10.1016/j.ejmech.2024.116210 | Unchecked | 6 |
| 38359535 | 10.1016/j.ejmech.2024.116210 | Tyrosine-protein kinase JAK2 | 3 |
| 38359535 | 10.1016/j.ejmech.2024.116210 | Tyrosine-protein kinase JAK3 | 3 |
| 38359535 | 10.1016/j.ejmech.2024.116210 | Tyrosine-protein kinase JAK1 | 3 |
| 38359535 | 10.1016/j.ejmech.2024.116210 | Tyrosine-protein kinase Lyn | 2 |
| 38359535 | 10.1016/j.ejmech.2024.116210 | Non-receptor tyrosine-protein kinase TYK2 | 2 |
| 38359535 | 10.1016/j.ejmech.2024.116210 | Platelet-derived growth factor receptor beta | 1 |
| 38359535 | 10.1016/j.ejmech.2024.116210 | Platelet-derived growth factor receptor alpha | 1 |
| 38359535 | 10.1016/j.ejmech.2024.116210 | Vascular endothelial growth factor receptor 3 | 1 |
| 38359535 | 10.1016/j.ejmech.2024.116210 | Tyrosine-protein kinase receptor UFO | 1 |
| 38359535 | 10.1016/j.ejmech.2024.116210 | Fibroblast growth factor receptor 3 | 1 |
| 38359535 | 10.1016/j.ejmech.2024.116210 | Proto-oncogene tyrosine-protein kinase receptor Ret | 1 |
| 38359535 | 10.1016/j.ejmech.2024.116210 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 38359535 | 10.1016/j.ejmech.2024.116210 | Vascular endothelial growth factor receptor 2 | 1 |
| 38359535 | 10.1016/j.ejmech.2024.116210 | Macrophage colony-stimulating factor 1 receptor | 1 |
| 38359535 | 10.1016/j.ejmech.2024.116210 | Vascular endothelial growth factor receptor 1 | 1 |
| 38359535 | 10.1016/j.ejmech.2024.116210 | Hepatocyte growth factor receptor | 1 |
| 38359535 | 10.1016/j.ejmech.2024.116210 | Tyrosine-protein kinase Mer | 1 |
| 38359535 | 10.1016/j.ejmech.2024.116210 | Mast/stem cell growth factor receptor Kit | 1 |
| 38359535 | 10.1016/j.ejmech.2024.116210 | Fibroblast growth factor receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine