Compound Detail
CHEMBL244793
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Basic Information
| ChEMBL ID | CHEMBL244793 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HBJUFAHIACMPFY-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
324.3
MW (Da)
3.80
ALogP
5
HBA
3
HBD
87.1
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.95
Ki 3 meas. best 9.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cell division cycle 7-related protein kinase CHEMBL5443 | Ki | 9.9 | 9.9 | 0.1 | 1 |
| Aurora kinase A CHEMBL4722 | Ki | 8.6 | 8.6 | 2.5 | 1 |
| Aurora kinase A CHEMBL4722 | IC50 | 7.95 | 7.95 | 11.3 | 2 |
| ALK tyrosine kinase receptor CHEMBL4247 | Ki | 7.2 | 7.2 | 63.1 | 1 |
| Mitogen-activated protein kinase 8 CHEMBL2276 | IC50 | 7.09 | 7.09 | 82.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cell division cycle 7-related protein kinase | Ki | = | 0.1259 | nM | 9.9 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Aurora kinase A | Ki | = | 2.512 | nM | 8.6 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Aurora kinase A | IC50 | = | 11.3 | nM | 7.95 | Inhibition of Aurora A kinase expressed in Escherichia coli using LRRASLG as sub... | 22803810 |
| Aurora kinase A | IC50 | = | 11.3 | nM | 7.95 | In Vitro Aurora A Activity Assay (DiscoverX): Reactions were carried out at room... | - |
| ALK tyrosine kinase receptor | Ki | = | 63.1 | nM | 7.2 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Mitogen-activated protein kinase 8 | IC50 | = | 82.0 | nM | 7.09 | Inhibition at human JNK1 at 1uM | 17107797 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17107797 | 10.1016/j.bmcl.2006.10.093 | Mitogen-activated protein kinase 8 | 1 |
| 22803810 | 10.1021/jm300334d | Aurora kinase A | 1 |
Data from ChEMBL 36 via Core Engine