Compound Detail
CHEMBL4740191
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Basic Information
| ChEMBL ID | CHEMBL4740191 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GELODAVSSQEIEG-DUXPYHPUSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
364.4
MW (Da)
2.59
ALogP
7
HBA
3
HBD
105.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 6.66 | 6.66 | 221.0 | 1 |
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 5.61 | 5.61 | 2443.0 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 5.55 | 5.55 | 2808.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 | IC50 | = | 221.0 | nM | 6.66 | Inhibition of recombinant human GST-tagged JAK3 cytoplasmic domain (781 to 1124 ... | 32097841 |
| Tyrosine-protein kinase JAK1 | IC50 | = | 2443.0 | nM | 5.61 | Inhibition of recombinant human GST-tagged JAK1 cytoplasmic domain (866 to 1154 ... | 32097841 |
| Tyrosine-protein kinase JAK2 | IC50 | = | 2808.0 | nM | 5.55 | Inhibition of recombinant human GST-tagged JAK2 cytoplasmic domain (809 to 1153+... | 32097841 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32097841 | 10.1016/j.ejmech.2020.112148 | Unchecked | 2 |
| 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