Compound Detail
CHEMBL1078165
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 | CHEMBL1078165 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MJIQGRRGRNUPCX-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
400.5
MW (Da)
3.34
ALogP
7
HBA
2
HBD
86.1
PSA (Ų)
0.46
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 6.88 | 6.88 | 132.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.09 | 5.09 | 8031.0 | 1 |
| BaF3 CHEMBL614524 | IC50 | 5.01 | 5.01 | 9824.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 | IC50 | = | 132.0 | nM | 6.88 | Inhibition of GST-tagged JAK2 kinase | 19762238 |
| NON-PROTEIN TARGET | IC50 | = | 8031.0 | nM | 5.09 | Antiproliferative activity against IL-2-stimulated mouse CTLL-2 cells expressing... | 19762238 |
| BaF3 | IC50 | = | 9824.0 | nM | 5.01 | Antiproliferative activity against mouse BAF3 cells expressing TEL-JAK2 kinase a... | 19762238 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19762238 | 10.1016/j.bmcl.2009.08.071 | BaF3 | 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 |
Data from ChEMBL 36 via Core Engine