Compound Detail
CHEMBL485564
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL485564 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DVAYUYCZMIQXLC-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
453.6
MW (Da)
3.77
ALogP
6
HBA
2
HBD
110.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase ITK/TSK CHEMBL2959 | IC50 | 7.4 | 6.725 | 40.0 | 2 |
| Insulin receptor CHEMBL1981 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase ITK/TSK | IC50 | = | 40.0 | nM | 7.4 | Inhibition of ITK by DELFIA assay | 18819799 |
| Insulin receptor | IC50 | = | 140.0 | nM | 6.85 | Inhibition of IRK | 18819799 |
| Tyrosine-protein kinase ITK/TSK | IC50 | = | 900.0 | nM | 6.05 | Inhibition of human ITK expressed in chicken DT40 cells assessed as B cell recep... | 18819799 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 BTK | 1 |
| 18819799 | 10.1016/j.bmcl.2008.09.015 | Tyrosine-protein kinase Lyn | 1 |
| 18819799 | 10.1016/j.bmcl.2008.09.015 | Lysine--tRNA ligase | 1 |
Data from ChEMBL 36 via Core Engine