Compound Detail
CHEMBL2206616
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 | CHEMBL2206616 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KXHHHVBBNMUUHR-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
402.5
MW (Da)
2.98
ALogP
7
HBA
1
HBD
91.3
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.28
Ki 1 meas. best 8.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 CHEMBL2835 | Ki | 8.03 | 8.03 | 9.3 | 1 |
| Tyrosine-protein kinase JAK1 CHEMBL2835 | EC50 | 5.28 | 5.28 | 5200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK1 | Ki | = | 9.3 | nM | 8.03 | Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-car... | 23107482 |
| Tyrosine-protein kinase JAK1 | EC50 | = | 5200.0 | nM | 5.28 | Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT... | 23107482 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23107482 | 10.1016/j.bmcl.2012.10.008 | Tyrosine-protein kinase JAK1 | 3 |
| 23107482 | 10.1016/j.bmcl.2012.10.008 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine