Compound Detail
CHEMBL1236126
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CC(C)(C)C(=O)Oc1ccc2c(c1)nc(NC(=O)c1cccc([N+](=O)[O-])c1)n2CCCO
Basic Information
| ChEMBL ID | CHEMBL1236126 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CEAYRKIZESVQSN-UHFFFAOYSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
440.5
MW (Da)
3.53
ALogP
8
HBA
2
HBD
136.6
PSA (Ų)
0.25
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Interleukin-1 receptor-associated kinase 4 CHEMBL3778 | Ki | 8.92 | 8.92 | 1.2 | 1 |
| Casein kinase I isoform delta CHEMBL2828 | Ki | 6.9 | 6.9 | 125.9 | 1 |
| Interleukin-1 receptor-associated kinase 1 CHEMBL3357 | Ki | 6.4 | 6.4 | 398.1 | 1 |
| Dual specificity protein kinase CLK4 CHEMBL4203 | Ki | 6.1 | 6.1 | 794.3 | 1 |
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | Ki | 5.7 | 5.7 | 1995.3 | 1 |
| Dual specificity protein kinase CLK2 CHEMBL4225 | Ki | 5.5 | 5.5 | 3162.3 | 1 |
| Mitogen-activated protein kinase kinase kinase kinase 4 CHEMBL6166 | Ki | 5.3 | 5.3 | 5011.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25479567 | 10.1021/jm5016044 | Interleukin-1 receptor-associated kinase 4 | 1 |
Data from ChEMBL 36 via Core Engine