Compound Detail
CHEMBL4741588
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Basic Information
| ChEMBL ID | CHEMBL4741588 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VVTLSOHVNNDMFQ-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
377.4
MW (Da)
2.58
ALogP
8
HBA
2
HBD
117.8
PSA (Ų)
0.62
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 7.19 | 7.19 | 65.0 | 1 |
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 6.49 | 6.49 | 322.0 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 6.23 | 6.23 | 587.0 | 1 |
| Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553 | IC50 | 5.64 | 5.64 | 2264.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 | IC50 | = | 65.0 | nM | 7.19 | Inhibition of recombinant human GST-tagged JAK3 cytoplasmic domain (781 to 1124 ... | 32097841 |
| Tyrosine-protein kinase JAK1 | IC50 | = | 322.0 | nM | 6.49 | Inhibition of recombinant human GST-tagged JAK1 cytoplasmic domain (866 to 1154 ... | 32097841 |
| Tyrosine-protein kinase JAK2 | IC50 | = | 587.0 | nM | 6.23 | Inhibition of recombinant human GST-tagged JAK2 cytoplasmic domain (809 to 1153+... | 32097841 |
| Non-receptor tyrosine-protein kinase TYK2 | IC50 | = | 2264.0 | nM | 5.64 | 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