Compound Detail
CHEMBL212269
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Basic Information
| ChEMBL ID | CHEMBL212269 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ORLXLKYURVKUJC-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
439.6
MW (Da)
3.74
ALogP
7
HBA
1
HBD
78.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High affinity nerve growth factor receptor CHEMBL2815 | IC50 | 6.62 | 6.62 | 240.0 | 1 |
| Tyrosine-protein kinase ITK/TSK CHEMBL2959 | IC50 | 6.16 | 6.16 | 690.0 | 1 |
| Jurkat CHEMBL397 | IC50 | 4.62 | 4.62 | 24000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| High affinity nerve growth factor receptor | IC50 | = | 240.0 | nM | 6.62 | Inhibition of TrkA | 18055203 |
| Tyrosine-protein kinase ITK/TSK | IC50 | = | 690.0 | nM | 6.16 | Inhibition of Itk | 16682193 |
| Jurkat | IC50 | = | 24000.0 | nM | 4.62 | Inhibition of IL2 production in Jurkat T cells | 16682193 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16682193 | 10.1016/j.bmcl.2006.04.060 | Jurkat | 1 |
| 16682193 | 10.1016/j.bmcl.2006.04.060 | Tyrosine-protein kinase ITK/TSK | 1 |
| 18055203 | 10.1016/j.bmcl.2007.11.076 | High affinity nerve growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine