Compound Detail
CHEMBL2062798
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Basic Information
| ChEMBL ID | CHEMBL2062798 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TYNLXQIQTDHRRN-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
394.5
MW (Da)
3.55
ALogP
7
HBA
1
HBD
85.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 9.0 | 8.2 | 1.0 | 3 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 7.22 | 7.135 | 60.8 | 2 |
| Focal adhesion kinase 1 CHEMBL2695 | IC50 | 5.87 | 5.87 | 1355.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 | IC50 | = | 1.0 | nM | 9.0 | In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity o... | - |
| Tyrosine-protein kinase JAK2 | IC50 | = | 1.4 | nM | 8.85 | Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-... | 22594690 |
| Tyrosine-protein kinase JAK3 | IC50 | = | 60.8 | nM | 7.22 | In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity o... | - |
| Tyrosine-protein kinase JAK3 | IC50 | = | 89.0 | nM | 7.05 | Inhibition of human JAK3 expressed in baculovirus using biotinyl-amino-hexanoyl-... | 22594690 |
| Tyrosine-protein kinase JAK2 | IC50 | = | 176.0 | nM | 6.75 | Inhibition of JAK2 in human TF-1 cells using GM-CSF pretreated for 1 hr prior to... | 22594690 |
| Focal adhesion kinase 1 | IC50 | = | 1355.0 | nM | 5.87 | In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity o... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22594690 | 10.1021/jm300248q | Tyrosine-protein kinase JAK2 | 3 |
| 22594690 | 10.1021/jm300248q | Tyrosine-protein kinase JAK3 | 1 |
| 22594690 | 10.1021/jm300248q | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine