Compound Detail
CHEMBL1079120
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Basic Information
| ChEMBL ID | CHEMBL1079120 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PQAPIAXNANSJSC-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
444.5
MW (Da)
2.99
ALogP
8
HBA
2
HBD
112.4
PSA (Ų)
0.54
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 6.73 | 6.73 | 186.0 | 1 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 5.64 | 5.64 | 2310.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.21 | 5.21 | 6160.0 | 1 |
| BaF3 CHEMBL614524 | IC50 | 5.07 | 5.07 | 8505.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 | IC50 | = | 186.0 | nM | 6.73 | Inhibition of GST-tagged JAK2 kinase | 19762238 |
| Tyrosine-protein kinase JAK3 | IC50 | = | 2310.0 | nM | 5.64 | Inhibition of GST-tagged JAK3 kinase | 19762238 |
| NON-PROTEIN TARGET | IC50 | = | 6160.0 | nM | 5.21 | Antiproliferative activity against IL-2-stimulated mouse CTLL-2 cells expressing... | 19762238 |
| BaF3 | IC50 | = | 8505.0 | nM | 5.07 | Antiproliferative activity against mouse BAF3 cells expressing TEL-JAK2 kinase a... | 19762238 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19762238 | 10.1016/j.bmcl.2009.08.071 | BaF3 | 2 |
| 19762238 | 10.1016/j.bmcl.2009.08.071 | Tyrosine-protein kinase JAK2 | 1 |
| 19762238 | 10.1016/j.bmcl.2009.08.071 | Tyrosine-protein kinase JAK3 | 1 |
| 19762238 | 10.1016/j.bmcl.2009.08.071 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine