Compound Detail
CHEMBL457705
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
CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc(C#N)nc1)n2CCC(N)=O
Basic Information
| ChEMBL ID | CHEMBL457705 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IFYQRVUSDKCLSD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
467.5
MW (Da)
2.71
ALogP
7
HBA
2
HBD
147.0
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase ITK/TSK CHEMBL2959 | IC50 | 7.64 | 7.64 | 23.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase ITK/TSK | IC50 | = | 23.0 | nM | 7.64 | Inhibition of recombinant ITK by DELFIA assay | 18819794 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 |
Data from ChEMBL 36 via Core Engine