Compound Detail
CHEMBL226232
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Basic Information
| ChEMBL ID | CHEMBL226232 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JTRXEPCDEVNYPE-UHFFFAOYSA-N |
9
Targets
10
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
247.7
MW (Da)
2.02
ALogP
2
HBA
2
HBD
57.8
PSA (Ų)
0.76
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 8 meas. best 8.0
IC50 2 meas. best 6.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dual specificity protein kinase CLK4 CHEMBL4203 | Ki | 8.0 | 8.0 | 10.0 | 1 |
| Mitogen-activated protein kinase kinase kinase kinase 4 CHEMBL6166 | Ki | 7.0 | 7.0 | 100.0 | 1 |
| Cell division cycle 7-related protein kinase CHEMBL5443 | Ki | 6.9 | 6.9 | 125.9 | 1 |
| Cell division cycle 7-related protein kinase CHEMBL5443 | IC50 | 6.83 | 6.83 | 147.0 | 1 |
| MAP kinase-activated protein kinase 2 CHEMBL2208 | IC50 | 6.22 | 6.22 | 608.0 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | Ki | 6.1 | 6.1 | 794.3 | 1 |
| Homeodomain-interacting protein kinase 2 CHEMBL4576 | Ki | 5.8 | 5.8 | 1584.9 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | Ki | 5.7 | 5.7 | 1995.3 | 1 |
| Rho-associated protein kinase 2 CHEMBL2973 | Ki | 5.2 | 5.2 | 6309.6 | 1 |
| Interleukin-1 receptor-associated kinase 4 CHEMBL3778 | Ki | 5.2 | 5.2 | 6309.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17480064 | 10.1021/jm0611004 | MAP kinase-activated protein kinase 2 | 1 |
| 18201066 | 10.1021/jm700956r | Cell division cycle 7-related protein kinase | 1 |
Data from ChEMBL 36 via Core Engine