Compound Detail
CHEMBL1077575
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1077575 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FGDRZTODQLVQGL-UHFFFAOYSA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
414.5
MW (Da)
3.58
ALogP
7
HBA
2
HBD
103.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 6.82 | 6.285 | 152.0 | 2 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 6.67 | 6.595 | 216.0 | 2 |
| Tyrosine-protein kinase JAK1 CHEMBL2835 | IC50 | 5.65 | 5.65 | 2233.0 | 1 |
| BaF3 CHEMBL614524 | IC50 | 4.99 | 4.99 | 10347.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.72 | 4.72 | 18891.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK3 | IC50 | = | 152.0 | nM | 6.82 | Inhibition of recombinant human GST-tagged JAK3 cytoplasmic domain (781 to 1124 ... | 32097841 |
| Tyrosine-protein kinase JAK2 | IC50 | = | 216.0 | nM | 6.67 | Inhibition of recombinant human GST-tagged JAK2 cytoplasmic domain (809 to 1153+... | 32097841 |
| Tyrosine-protein kinase JAK2 | IC50 | = | 303.0 | nM | 6.52 | Inhibition of GST-tagged JAK2 kinase | 19762238 |
| Tyrosine-protein kinase JAK3 | IC50 | = | 1760.0 | nM | 5.75 | Inhibition of GST-tagged JAK3 kinase | 19762238 |
| Tyrosine-protein kinase JAK1 | IC50 | = | 2233.0 | nM | 5.65 | Inhibition of recombinant human GST-tagged JAK1 cytoplasmic domain (866 to 1154 ... | 32097841 |
| BaF3 | IC50 | = | 10347.0 | nM | 4.99 | Antiproliferative activity against mouse BAF3 cells expressing TEL-JAK2 kinase a... | 19762238 |
| NON-PROTEIN TARGET | IC50 | = | 18891.0 | nM | 4.72 | Antiproliferative activity against IL-2-stimulated mouse CTLL-2 cells expressing... | 19762238 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19762238 | 10.1016/j.bmcl.2009.08.071 | BaF3 | 2 |
| 32097841 | 10.1016/j.ejmech.2020.112148 | Unchecked | 2 |
| 19762238 | 10.1016/j.bmcl.2009.08.071 | Tyrosine-protein kinase JAK2 | 1 |
| 19762238 | 10.1016/j.bmcl.2009.08.071 | Tyrosine-protein kinase JAK3 | 1 |
| 19762238 | 10.1016/j.bmcl.2009.08.071 | NON-PROTEIN TARGET | 1 |
| 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