Compound Detail
CHEMBL4280308
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Basic Information
| ChEMBL ID | CHEMBL4280308 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LCLRACQFTGWEPR-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
237.3
MW (Da)
2.17
ALogP
3
HBA
2
HBD
71.8
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 4.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity protein kinase TTK CHEMBL3983 | Ki | 4.52 | 4.52 | 30200.0 | 1 |
| Aurora kinase B/Inner centromere protein CHEMBL3430907 | Ki | 4.38 | 4.38 | 41700.0 | 1 |
| Aurora kinase A CHEMBL4722 | Ki | 4.12 | 4.12 | 76300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dual specificity protein kinase TTK | Ki | = | 30200.0 | nM | 4.52 | Inhibition of full length human Mps1 using fluorescence-labeled H236 peptide as ... | 29764757 |
| Aurora kinase B/Inner centromere protein | Ki | = | 41700.0 | nM | 4.38 | Inhibition of human full length N-terminal GST-tagged Aurora B (1 to 344 end res... | 29764757 |
| Aurora kinase A | Ki | = | 76300.0 | nM | 4.12 | Inhibition of full length N-terminal His-tagged Aurora A (unknown origin) using ... | 29764757 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29764757 | 10.1016/j.bmc.2018.04.033 | Aurora kinase A | 2 |
| 29764757 | 10.1016/j.bmc.2018.04.033 | Dual specificity protein kinase TTK | 2 |
| 29764757 | 10.1016/j.bmc.2018.04.033 | Tyrosine-protein kinase ABL1 | 1 |
| 29764757 | 10.1016/j.bmc.2018.04.033 | Mitogen-activated protein kinase 1 | 1 |
| 29764757 | 10.1016/j.bmc.2018.04.033 | Tyrosine-protein kinase Fyn | 1 |
| 29764757 | 10.1016/j.bmc.2018.04.033 | Glycogen synthase kinase-3 beta | 1 |
| 29764757 | 10.1016/j.bmc.2018.04.033 | Insulin receptor | 1 |
| 29764757 | 10.1016/j.bmc.2018.04.033 | Tyrosine-protein kinase Lck | 1 |
| 29764757 | 10.1016/j.bmc.2018.04.033 | Tyrosine-protein kinase Lyn | 1 |
| 29764757 | 10.1016/j.bmc.2018.04.033 | MAP kinase-activated protein kinase 2 | 1 |
| 29764757 | 10.1016/j.bmc.2018.04.033 | Hepatocyte growth factor receptor | 1 |
| 29764757 | 10.1016/j.bmc.2018.04.033 | Ribosomal protein S6 kinase alpha-5 | 1 |
| 29764757 | 10.1016/j.bmc.2018.04.033 | Mitogen-activated protein kinase 14 | 1 |
| 29764757 | 10.1016/j.bmc.2018.04.033 | Unchecked | 1 |
| 29764757 | 10.1016/j.bmc.2018.04.033 | Protein kinase C zeta type | 1 |
| 29764757 | 10.1016/j.bmc.2018.04.033 | Serine/threonine-protein kinase D2 | 1 |
| 29764757 | 10.1016/j.bmc.2018.04.033 | MAP kinase-activated protein kinase 5 | 1 |
| 29764757 | 10.1016/j.bmc.2018.04.033 | Ribosomal protein S6 kinase alpha-1 | 1 |
| 29764757 | 10.1016/j.bmc.2018.04.033 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 29764757 | 10.1016/j.bmc.2018.04.033 | Aurora kinase B | 1 |
Data from ChEMBL 36 via Core Engine