Compound Detail
CHEMBL457706
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Basic Information
| ChEMBL ID | CHEMBL457706 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QAFHWLBRECIPAC-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
472.5
MW (Da)
3.37
ALogP
7
HBA
2
HBD
134.1
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase ITK/TSK CHEMBL2959 | IC50 | 8.1 | 7.58 | 8.0 | 3 |
| Insulin receptor CHEMBL1981 | IC50 | 5.42 | 5.42 | 3800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase ITK/TSK | IC50 | = | 8.0 | nM | 8.1 | Inhibition of recombinant ITK by DELFIA assay | 18819794 |
| Tyrosine-protein kinase ITK/TSK | IC50 | = | 15.0 | nM | 7.82 | Inhibition of ITK by DELFIA method | 19111460 |
| Tyrosine-protein kinase ITK/TSK | IC50 | = | 150.0 | nM | 6.82 | Inhibition of human ITK expressed in chicken DT40 cells assessed as calcium infl... | 19111460 |
| Insulin receptor | IC50 | = | 3800.0 | nM | 5.42 | Inhibition of IRK | 19111460 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19111460 | 10.1016/j.bmcl.2008.12.028 | Tyrosine-protein kinase ITK/TSK | 2 |
| 18819794 | 10.1016/j.bmcl.2008.09.017 | Tyrosine-protein kinase ITK/TSK | 1 |
| 18819794 | 10.1016/j.bmcl.2008.09.017 | Insulin receptor | 1 |
| 19111460 | 10.1016/j.bmcl.2008.12.028 | Insulin receptor | 1 |
| 19111460 | 10.1016/j.bmcl.2008.12.028 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine