Compound Detail
CHEMBL3426307
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Basic Information
| ChEMBL ID | CHEMBL3426307 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KWTDVQYZRZTJDG-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
383.4
MW (Da)
3.28
ALogP
4
HBA
2
HBD
75.6
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.52
IC50 1 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase ITK/TSK CHEMBL2959 | Ki | 9.52 | 9.52 | 0.3 | 1 |
| Tyrosine-protein kinase ITK/TSK CHEMBL2959 | IC50 | 7.5 | 7.5 | 32.0 | 1 |
| Tyrosine-protein kinase Lck CHEMBL258 | Ki | 6.22 | 6.22 | 600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase ITK/TSK | Ki | = | 0.3 | nM | 9.52 | Inhibition of GST-tagged recombinant full length human ITK using AcEFPIYDFLPAKKK... | 25844760 |
| Tyrosine-protein kinase ITK/TSK | IC50 | = | 32.0 | nM | 7.5 | Inhibition of ITK in TCR stimulated human Jurkat T cells assessed as reduction o... | 25844760 |
| Tyrosine-protein kinase Lck | Ki | = | 600.0 | nM | 6.22 | Inhibition of LCK (unknown origin) | 25844760 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25844760 | 10.1021/jm501998m | Tyrosine-protein kinase ITK/TSK | 3 |
| 25844760 | 10.1021/jm501998m | Tyrosine-protein kinase Lck | 1 |
| 25844760 | 10.1021/jm501998m | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine