Compound Detail
CHEMBL2062802
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Basic Information
| ChEMBL ID | CHEMBL2062802 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KCFIWVSFAVCRGS-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
449.5
MW (Da)
3.38
ALogP
8
HBA
1
HBD
88.8
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 9.4 | 8.4867 | 0.4 | 3 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 7.51 | 7.51 | 31.0 | 2 |
| Focal adhesion kinase 1 CHEMBL2695 | IC50 | 5.69 | 5.69 | 2022.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 | IC50 | = | 0.4 | nM | 9.4 | In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity o... | - |
| Tyrosine-protein kinase JAK2 | IC50 | = | 0.8 | nM | 9.1 | Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-... | 22594690 |
| Tyrosine-protein kinase JAK3 | IC50 | = | 31.0 | nM | 7.51 | Inhibition of human JAK3 expressed in baculovirus using biotinyl-amino-hexanoyl-... | 22594690 |
| Tyrosine-protein kinase JAK3 | IC50 | = | 31.0 | nM | 7.51 | In Vitro Enzyme Assay: The ability of compounds to inhibit the kinase activity o... | - |
| Tyrosine-protein kinase JAK2 | IC50 | = | 110.0 | nM | 6.96 | Inhibition of JAK2 in human TF-1 cells using GM-CSF pretreated for 1 hr prior to... | 22594690 |
| Focal adhesion kinase 1 | IC50 | = | 2022.2 | nM | 5.69 | 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