Compound Detail
CHEMBL5556716
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Basic Information
| ChEMBL ID | CHEMBL5556716 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JAKSQHUPAOGSMJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
402.5
MW (Da)
4.04
ALogP
5
HBA
3
HBD
81.9
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 7.09 | 7.09 | 81.7 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 6.86 | 6.86 | 137.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 | IC50 | = | 81.7 | nM | 7.09 | Inhibition of recombinant JAK1 (unknown origin) using GFP-STAT1 as substrate inc... | 38359535 |
| Tyrosine-protein kinase JAK2 | IC50 | = | 137.0 | nM | 6.86 | Inhibition of JAK2 (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