Compound Detail
CHEMBL2208023
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Basic Information
| ChEMBL ID | CHEMBL2208023 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AOJLLAFITFFUGQ-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
304.4
MW (Da)
3.85
ALogP
4
HBA
2
HBD
66.9
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 7.89 | 6.79 | 12.8 | 4 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 5.94 | 5.94 | 1149.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 | IC50 | = | 12.8 | nM | 7.89 | Inhibition of JAK2 | 23127890 |
| Tyrosine-protein kinase JAK2 | IC50 | = | 27.4 | nM | 7.56 | Inhibition of human JAK2 using poly(Glu:Tyr)(4:1) as substrate preincubated for ... | 30243158 |
| Tyrosine-protein kinase JAK2 | IC50 | = | 1004.3 | nM | 6.0 | Inhibition of JAK2 in HEL 92.1.7 cells assessed as inhibition of STAT1 phosphory... | 23127890 |
| Tyrosine-protein kinase JAK3 | IC50 | = | 1149.3 | nM | 5.94 | Inhibition of JAK3 | 23127890 |
| Tyrosine-protein kinase JAK2 | IC50 | = | 1971.0 | nM | 5.71 | Inhibition of JAK2 in HEL 92.1.7 cells assessed as inhibition of STAT3 phosphory... | 23127890 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23127890 | 10.1016/j.bmcl.2012.10.007 | Tyrosine-protein kinase JAK2 | 3 |
| 30243158 | 10.1016/j.ejmech.2018.09.024 | Tyrosine-protein kinase JAK2 | 2 |
| 23127890 | 10.1016/j.bmcl.2012.10.007 | No relevant target | 1 |
| 23127890 | 10.1016/j.bmcl.2012.10.007 | Tyrosine-protein kinase JAK3 | 1 |
Data from ChEMBL 36 via Core Engine