Compound Detail
CHEMBL243297
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Basic Information
| ChEMBL ID | CHEMBL243297 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OZHJZVONMLIEPV-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
322.3
MW (Da)
3.37
ALogP
6
HBA
4
HBD
107.4
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.7
IC50 1 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aurora kinase B CHEMBL2185 | Ki | 8.7 | 8.7 | 2.0 | 1 |
| Aurora kinase A CHEMBL4722 | Ki | 7.5 | 7.5 | 31.6 | 1 |
| Mitogen-activated protein kinase 8 CHEMBL2276 | IC50 | 7.46 | 7.46 | 35.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aurora kinase B | Ki | = | 1.995 | nM | 8.7 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Aurora kinase A | Ki | = | 31.62 | nM | 7.5 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Mitogen-activated protein kinase 8 | IC50 | = | 35.0 | nM | 7.46 | 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 |
Data from ChEMBL 36 via Core Engine