Compound Detail
CHEMBL4295011
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Basic Information
| ChEMBL ID | CHEMBL4295011 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VJSLJXHTFBDLGG-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
188.2
MW (Da)
0.41
ALogP
4
HBA
2
HBD
84.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 4.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aurora kinase B/Inner centromere protein CHEMBL3430907 | Ki | 4.73 | 4.73 | 18700.0 | 1 |
| Aurora kinase A CHEMBL4722 | Ki | 4.05 | 4.05 | 89600.0 | 1 |
| Dual specificity protein kinase TTK CHEMBL3983 | Ki | 3.57 | 3.57 | 269300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aurora kinase B/Inner centromere protein | Ki | = | 18700.0 | nM | 4.73 | Inhibition of human full length N-terminal GST-tagged Aurora B (1 to 344 end res... | 29764757 |
| Aurora kinase A | Ki | = | 89600.0 | nM | 4.05 | Inhibition of full length N-terminal His-tagged Aurora A (unknown origin) using ... | 29764757 |
| Dual specificity protein kinase TTK | Ki | = | 269300.0 | nM | 3.57 | Inhibition of full length human Mps1 using fluorescence-labeled H236 peptide as ... | 29764757 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29764757 | 10.1016/j.bmc.2018.04.033 | Dual specificity protein kinase TTK | 1 |
| 29764757 | 10.1016/j.bmc.2018.04.033 | Aurora kinase A | 1 |
| 29764757 | 10.1016/j.bmc.2018.04.033 | Aurora kinase B/Inner centromere protein | 1 |
Data from ChEMBL 36 via Core Engine