Compound Detail
CHEMBL243517
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Basic Information
| ChEMBL ID | CHEMBL243517 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ROIWTEBVYRJZEG-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
320.4
MW (Da)
3.97
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
Ki 2 meas. best 8.9
IC50 1 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aurora kinase B CHEMBL2185 | Ki | 8.9 | 8.9 | 1.3 | 1 |
| Aurora kinase A CHEMBL4722 | Ki | 8.2 | 8.2 | 6.3 | 1 |
| Mitogen-activated protein kinase 8 CHEMBL2276 | IC50 | 6.8 | 6.8 | 157.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aurora kinase B | Ki | = | 1.259 | nM | 8.9 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Aurora kinase A | Ki | = | 6.31 | nM | 8.2 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Mitogen-activated protein kinase 8 | IC50 | = | 157.0 | nM | 6.8 | 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