Compound Detail
CHEMBL2208028
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Basic Information
| ChEMBL ID | CHEMBL2208028 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XRNNLWRNKTXVIA-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
403.5
MW (Da)
3.99
ALogP
6
HBA
2
HBD
79.4
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 8.29 | 7.0975 | 5.1 | 4 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 6.98 | 6.98 | 104.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 | IC50 | = | 5.1 | nM | 8.29 | Inhibition of JAK2 | 23127890 |
| Tyrosine-protein kinase JAK2 | IC50 | = | 28.7 | nM | 7.54 | Inhibition of human JAK2 using poly(Glu:Tyr)(4:1) as substrate preincubated for ... | 30243158 |
| Tyrosine-protein kinase JAK3 | IC50 | = | 104.5 | nM | 6.98 | Inhibition of JAK3 | 23127890 |
| Tyrosine-protein kinase JAK2 | IC50 | = | 447.0 | nM | 6.35 | Inhibition of JAK2 in HEL 92.1.7 cells assessed as inhibition of STAT3 phosphory... | 23127890 |
| Tyrosine-protein kinase JAK2 | IC50 | = | 608.9 | nM | 6.21 | Inhibition of JAK2 in HEL 92.1.7 cells assessed as inhibition of STAT1 phosphory... | 23127890 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23127890 | 10.1016/j.bmcl.2012.10.007 | Tyrosine-protein kinase JAK2 | 3 |
| 23127890 | 10.1016/j.bmcl.2012.10.007 | Tyrosine-protein kinase JAK3 | 1 |
| 30243158 | 10.1016/j.ejmech.2018.09.024 | Tyrosine-protein kinase JAK2 | 1 |
Data from ChEMBL 36 via Core Engine