Compound Detail
CHEMBL2325896
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 | CHEMBL2325896 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MIHIZGXUSZQEJD-OAHLLOKOSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
364.4
MW (Da)
1.33
ALogP
5
HBA
2
HBD
114.8
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| JAK3/JAK1 CHEMBL3038491 | IC50 | 7.52 | 6.905 | 30.0 | 2 |
| JAK2/JAK1 CHEMBL3038492 | IC50 | 6.85 | 6.85 | 141.0 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 6.69 | 6.69 | 206.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| JAK3/JAK1 | IC50 | = | 30.0 | nM | 7.52 | Inhibition of JAK3/JAK1 in human PBMC expressing CD3 assessed as inhibition of I... | 23214979 |
| JAK2/JAK1 | IC50 | = | 141.0 | nM | 6.85 | Inhibition of JAK2/JAK1 in human PBMC expressing CD14 assessed as inhibition of ... | 23214979 |
| Tyrosine-protein kinase JAK2 | IC50 | = | 206.0 | nM | 6.69 | Inhibition of JAK2 in human PBMC expressing CD14 assessed as inhibition of GM-CS... | 23214979 |
| JAK3/JAK1 | IC50 | = | 511.0 | nM | 6.29 | Inhibition of JAK3/JAK1 in human whole blood expressing CD13 assessed as inhibit... | 23214979 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23214979 | 10.1021/jm301646k | JAK3/JAK1 | 2 |
| 23214979 | 10.1021/jm301646k | Tyrosine-protein kinase JAK2 | 2 |
| 23214979 | 10.1021/jm301646k | JAK2/JAK1 | 1 |
| 23214979 | 10.1021/jm301646k | Tyrosine-protein kinase JAK1 | 1 |
| 23214979 | 10.1021/jm301646k | Tyrosine-protein kinase JAK3 | 1 |
Data from ChEMBL 36 via Core Engine