Compound Detail
CHEMBL483403
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Basic Information
| ChEMBL ID | CHEMBL483403 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OGZCHMBOZNMDQZ-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
482.0
MW (Da)
4.36
ALogP
5
HBA
2
HBD
110.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase ITK/TSK CHEMBL2959 | IC50 | 8.4 | 7.45 | 4.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 6.36 | 6.36 | 440.0 | 1 |
| Splenocyte CHEMBL612422 | IC50 | 6.28 | 6.28 | 520.0 | 1 |
| Insulin receptor CHEMBL1981 | IC50 | 5.41 | 5.41 | 3900.0 | 1 |
| T-cell CHEMBL614309 | IC50 | 5.39 | 5.39 | 4100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase ITK/TSK | IC50 | = | 4.0 | nM | 8.4 | Inhibition of ITK by DELFIA assay | 18819799 |
| Tyrosine-protein kinase ITK/TSK | IC50 | = | 320.0 | nM | 6.5 | Inhibition of human ITK expressed in chicken DT40 cells assessed as B cell recep... | 18819799 |
| Unchecked | IC50 | = | 440.0 | nM | 6.36 | Inhibition of anti-CD3-induced IL2 secretion in mouse TH1 cells | 18819799 |
| Splenocyte | IC50 | = | 520.0 | nM | 6.28 | Inhibition of anti-CD3-induced IL2 secretion in mouse splenocytes | 18819799 |
| Insulin receptor | IC50 | = | 3900.0 | nM | 5.41 | Inhibition of IRK | 18819799 |
| T-cell | IC50 | = | 4100.0 | nM | 5.39 | Inhibition of anti-CD3/anti-CD28-induced IL2 secretion in human CD4+ T cells | 18819799 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18819799 | 10.1016/j.bmcl.2008.09.015 | Unchecked | 7 |
| 18819799 | 10.1016/j.bmcl.2008.09.015 | Tyrosine-protein kinase ITK/TSK | 2 |
| 18819799 | 10.1016/j.bmcl.2008.09.015 | Insulin receptor | 1 |
| 18819799 | 10.1016/j.bmcl.2008.09.015 | Tyrosine-protein kinase Lyn | 1 |
| 18819799 | 10.1016/j.bmcl.2008.09.015 | Liver microsomes | 1 |
| 18819799 | 10.1016/j.bmcl.2008.09.015 | T-cell | 1 |
| 18819799 | 10.1016/j.bmcl.2008.09.015 | Splenocyte | 1 |
Data from ChEMBL 36 via Core Engine