Compound Detail
CHEMBL3298285
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Basic Information
| ChEMBL ID | CHEMBL3298285 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VXUZVATZVGRSHS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
346.4
MW (Da)
2.66
ALogP
5
HBA
2
HBD
99.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase ITK/TSK CHEMBL2959 | Ki | 7.51 | 7.51 | 31.0 | 1 |
| Aurora kinase A CHEMBL4722 | Ki | 6.11 | 6.11 | 780.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase ITK/TSK | Ki | = | 31.0 | nM | 7.51 | Inhibition of GST-tagged full length ITK (unknown origin) using BLK peptide as s... | 24918870 |
| Aurora kinase A | Ki | = | 780.0 | nM | 6.11 | Inhibition of human His-tagged full length AURKA using kemptide peptide as subst... | 24918870 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24918870 | 10.1021/jm500550e | No relevant target | 2 |
| 24918870 | 10.1021/jm500550e | Unchecked | 1 |
| 24918870 | 10.1021/jm500550e | Tyrosine-protein kinase ITK/TSK | 1 |
| 24918870 | 10.1021/jm500550e | Aurora kinase A | 1 |
Data from ChEMBL 36 via Core Engine