Compound Detail
CHEMBL5542400
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Basic Information
| ChEMBL ID | CHEMBL5542400 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NVEDVUCNLSTDTP-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
406.9
MW (Da)
4.68
ALogP
4
HBA
3
HBD
72.6
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 8.66 | 8.66 | 2.2 | 1 |
| Tyrosine-protein kinase JAK1 CHEMBL2968 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 6.25 | 6.25 | 556.0 | 1 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 5.88 | 5.88 | 1321.0 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL1649049 | IC50 | 5.51 | 5.51 | 3067.0 | 1 |
| Tyrosine-protein kinase JAK3 CHEMBL5250 | IC50 | 5.25 | 5.25 | 5667.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 | IC50 | = | 2.2 | nM | 8.66 | Inhibition of recombinant JAK1 (unknown origin) using GFP-STAT1 as substrate inc... | 38359535 |
| Tyrosine-protein kinase JAK1 | IC50 | = | 120.0 | nM | 6.92 | Inhibition of JAK1 in mouse Ba/F3-TEL-JAK1 cells assessed as inhibition of JAK1-... | 38359535 |
| Tyrosine-protein kinase JAK2 | IC50 | = | 556.0 | nM | 6.25 | Inhibition of JAK2 (unknown origin) using GFP-STAT1 as substrate incubated for 1... | 38359535 |
| Tyrosine-protein kinase JAK3 | IC50 | = | 1321.0 | nM | 5.88 | Inhibition of JAK3 (unknown origin) using GFP-STAT1 as substrate incubated for 1... | 38359535 |
| Tyrosine-protein kinase JAK2 | IC50 | = | 3067.0 | nM | 5.51 | Inhibition of JAK2 in mouse Ba/F3-TEL-JAK2 cells assessed as inhibition of JAK1-... | 38359535 |
| Tyrosine-protein kinase JAK3 | IC50 | = | 5667.0 | nM | 5.25 | Inhibition of JAK3 in mouse Ba/F3-TEL-JAK3 cells assessed as inhibition of JAK1-... | 38359535 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38359535 | 10.1016/j.ejmech.2024.116210 | Unchecked | 5 |
| 38359535 | 10.1016/j.ejmech.2024.116210 | Tyrosine-protein kinase JAK1 | 2 |
| 38359535 | 10.1016/j.ejmech.2024.116210 | Tyrosine-protein kinase JAK2 | 2 |
| 38359535 | 10.1016/j.ejmech.2024.116210 | Tyrosine-protein kinase JAK3 | 2 |
| 38359535 | 10.1016/j.ejmech.2024.116210 | Non-receptor tyrosine-protein kinase TYK2 | 1 |
Data from ChEMBL 36 via Core Engine