Compound Detail
CHEMBL302219
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 | CHEMBL302219 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PODUQVUYRAXKPI-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
201.2
MW (Da)
1.74
ALogP
4
HBA
2
HBD
72.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.51
Ki 1 meas. best 4.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aurora kinase B/Inner centromere protein CHEMBL3430907 | Ki | 4.59 | 4.59 | 25700.0 | 1 |
| Phosphodiesterase 3 CHEMBL2094125 | IC50 | 4.51 | 4.51 | 31000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aurora kinase B/Inner centromere protein | Ki | = | 25700.0 | nM | 4.59 | Inhibition of human full length N-terminal GST-tagged Aurora B (1 to 344 end res... | 29764757 |
| Phosphodiesterase 3 | IC50 | = | 31000.0 | nM | 4.51 | Cardiotonic effect by inhibition of cAMP phosphodiesterase (PDE III) | 3701782 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3701782 | 10.1021/jm00155a009 | Canis familiaris | 3 |
| 29764757 | 10.1016/j.bmc.2018.04.033 | Dual specificity protein kinase TTK | 2 |
| 29764757 | 10.1016/j.bmc.2018.04.033 | Aurora kinase A | 2 |
| 29764757 | 10.1016/j.bmc.2018.04.033 | Tyrosine-protein kinase ABL1 | 1 |
| 7783130 | 10.1021/jm00011a018 | Unchecked | 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 |
| 29764757 | 10.1016/j.bmc.2018.04.033 | Aurora kinase B/Inner centromere protein | 1 |
Data from ChEMBL 36 via Core Engine