Compound Detail
CHEMBL3335679
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Basic Information
| ChEMBL ID | CHEMBL3335679 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | APGTVHPARWDUFA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
338.4
MW (Da)
0.50
ALogP
5
HBA
3
HBD
120.1
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 6.63 | 6.63 | 234.0 | 1 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 5.96 | 5.96 | 1083.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 | IC50 | = | 234.0 | nM | 6.63 | Inhibition of JAK2 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEY... | 25262541 |
| Tyrosine-protein kinase JAK3 | IC50 | = | 1083.0 | nM | 5.96 | Inhibition of JAK3 (unknown origin)-mediated phosphorylation of Biotin-KAIETDKEY... | 25262541 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25262541 | 10.1016/j.bmcl.2014.09.031 | Tyrosine-protein kinase JAK3 | 1 |
| 25262541 | 10.1016/j.bmcl.2014.09.031 | Tyrosine-protein kinase JAK2 | 1 |
| 25262541 | 10.1016/j.bmcl.2014.09.031 | Tyrosine-protein kinase JAK1 | 1 |
Data from ChEMBL 36 via Core Engine