Compound Detail
CHEMBL3298373
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 | CHEMBL3298373 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ILYQIAVPXLQYSF-HSZRJFAPSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
432.6
MW (Da)
3.96
ALogP
5
HBA
3
HBD
87.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.7
IC50 1 meas. best 6.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase ITK/TSK CHEMBL2959 | Ki | 9.7 | 9.7 | 0.2 | 1 |
| Aurora kinase A CHEMBL4722 | Ki | 7.72 | 7.72 | 19.0 | 1 |
| Tyrosine-protein kinase ITK/TSK CHEMBL2959 | IC50 | 6.06 | 6.06 | 870.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase ITK/TSK | Ki | = | 0.2 | nM | 9.7 | Inhibition of GST-tagged full length ITK (unknown origin) using BLK peptide as s... | 24918870 |
| Aurora kinase A | Ki | = | 19.0 | nM | 7.72 | Inhibition of human His-tagged full length AURKA using kemptide peptide as subst... | 24918870 |
| Tyrosine-protein kinase ITK/TSK | IC50 | = | 870.0 | nM | 6.06 | Inhibition of ITK in human Jurkat cells assessed as reduction in PLC-gamma phosp... | 24918870 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24918870 | 10.1021/jm500550e | Tyrosine-protein kinase ITK/TSK | 2 |
| 24918870 | 10.1021/jm500550e | No relevant target | 2 |
| 24918870 | 10.1021/jm500550e | MDCK | 1 |
| 24918870 | 10.1021/jm500550e | Aurora kinase A | 1 |
| 24918870 | 10.1021/jm500550e | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine