Compound Detail
CHEMBL5542947
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Basic Information
| ChEMBL ID | CHEMBL5542947 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XJPCPBSIHSSCFD-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
396.5
MW (Da)
4.51
ALogP
4
HBA
3
HBD
83.5
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 7.1 | 7.1 | 78.9 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 6.79 | 6.79 | 162.0 | 1 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 5.51 | 5.51 | 3091.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 | IC50 | = | 78.9 | nM | 7.1 | Inhibition of recombinant JAK1 (unknown origin) using GFP-STAT1 as substrate inc... | 38359535 |
| Tyrosine-protein kinase JAK2 | IC50 | = | 162.0 | nM | 6.79 | Inhibition of JAK2 (unknown origin) using GFP-STAT1 as substrate incubated for 1... | 38359535 |
| Tyrosine-protein kinase JAK3 | IC50 | = | 3091.0 | nM | 5.51 | Inhibition of JAK3 (unknown origin) using GFP-STAT1 as substrate incubated for 1... | 38359535 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38359535 | 10.1016/j.ejmech.2024.116210 | Unchecked | 3 |
| 38359535 | 10.1016/j.ejmech.2024.116210 | Tyrosine-protein kinase JAK1 | 1 |
| 38359535 | 10.1016/j.ejmech.2024.116210 | Tyrosine-protein kinase JAK2 | 1 |
| 38359535 | 10.1016/j.ejmech.2024.116210 | Tyrosine-protein kinase JAK3 | 1 |
| 38359535 | 10.1016/j.ejmech.2024.116210 | Non-receptor tyrosine-protein kinase TYK2 | 1 |
Data from ChEMBL 36 via Core Engine