Compound Detail
CHEMBL4758891
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Basic Information
| ChEMBL ID | CHEMBL4758891 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QQJXMTLFSZGTMP-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
401.5
MW (Da)
3.85
ALogP
6
HBA
2
HBD
79.4
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 5.75 | 5.75 | 1796.0 | 1 |
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 5.67 | 5.67 | 2119.0 | 1 |
| Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553 | IC50 | 5.61 | 5.61 | 2439.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 | IC50 | = | 30.0 | nM | 7.52 | Inhibition of recombinant human GST-tagged JAK3 cytoplasmic domain (781 to 1124 ... | 32097841 |
| Tyrosine-protein kinase JAK2 | IC50 | = | 1796.0 | nM | 5.75 | Inhibition of recombinant human GST-tagged JAK2 cytoplasmic domain (809 to 1153+... | 32097841 |
| Tyrosine-protein kinase JAK1 | IC50 | = | 2119.0 | nM | 5.67 | Inhibition of recombinant human GST-tagged JAK1 cytoplasmic domain (866 to 1154 ... | 32097841 |
| Non-receptor tyrosine-protein kinase TYK2 | IC50 | = | 2439.0 | nM | 5.61 | Inhibition of recombinant human N-terminal GST-tagged TYK2 cytoplasmic domain (8... | 32097841 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32097841 | 10.1016/j.ejmech.2020.112148 | Unchecked | 3 |
| 32097841 | 10.1016/j.ejmech.2020.112148 | Tyrosine-protein kinase JAK3 | 1 |
| 32097841 | 10.1016/j.ejmech.2020.112148 | Tyrosine-protein kinase JAK2 | 1 |
| 32097841 | 10.1016/j.ejmech.2020.112148 | Tyrosine-protein kinase JAK1 | 1 |
| 32097841 | 10.1016/j.ejmech.2020.112148 | Non-receptor tyrosine-protein kinase TYK2 | 1 |
Data from ChEMBL 36 via Core Engine