Compound Detail
CHEMBL1080394
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 | CHEMBL1080394 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XCBVVBMORUYAJM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
332.4
MW (Da)
3.72
ALogP
5
HBA
1
HBD
50.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 6.33 | 6.33 | 467.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 | IC50 | = | 467.0 | nM | 6.33 | Inhibition of GST-tagged JAK2 kinase | 19762238 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19762238 | 10.1016/j.bmcl.2009.08.071 | Tyrosine-protein kinase JAK2 | 1 |
| 19762238 | 10.1016/j.bmcl.2009.08.071 | BaF3 | 1 |
Data from ChEMBL 36 via Core Engine