Compound Detail
CHEMBL4645290
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C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc4c(c3)B(O)OC4(C)C)ncc2C(F)(F)F)c1
Basic Information
| ChEMBL ID | CHEMBL4645290 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IPDZMASQNCOZLU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
483.3
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 | IC50 | = | 1.0 | nM | 9.0 | Inhibition of recombinant human N-terminal His-tagged JAK3 (795 to 1124 residues... | 31843459 |
| Tyrosine-protein kinase BTK | IC50 | = | 2.0 | nM | 8.7 | Inhibition of recombinant human His-tagged full length BTK expressed in baculovi... | 31843459 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31843459 | 10.1016/j.bmc.2019.115236 | Unchecked | 3 |
| 31843459 | 10.1016/j.bmc.2019.115236 | Tyrosine-protein kinase JAK3 | 1 |
| 31843459 | 10.1016/j.bmc.2019.115236 | Non-receptor tyrosine-protein kinase TYK2 | 1 |
| 31843459 | 10.1016/j.bmc.2019.115236 | Tyrosine-protein kinase JAK2 | 1 |
| 31843459 | 10.1016/j.bmc.2019.115236 | Tyrosine-protein kinase JAK1 | 1 |
| 31843459 | 10.1016/j.bmc.2019.115236 | Tyrosine-protein kinase BTK | 1 |
Data from ChEMBL 36 via Core Engine