Compound Detail
CHEMBL5406696
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CN1CCN(C(=O)Cn2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(OCC4CC4)cc3n2)CC1
Basic Information
| ChEMBL ID | CHEMBL5406696 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YSZZAUQYYQVUPX-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
516.5
MW (Da)
3.27
ALogP
7
HBA
1
HBD
92.6
PSA (Ų)
0.52
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Interleukin-1 receptor-associated kinase 4 CHEMBL3778 | IC50 | 8.52 | 8.52 | 3.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Interleukin-1 receptor-associated kinase 4 | IC50 | = | 3.0 | nM | 8.52 | Inhibition of N-terminal GST-tagged recombinant human IRAK4 expressed in baculov... | 38228402 |
| Interleukin-1 receptor-associated kinase 4 | IC50 | = | 3.0 | nM | 8.52 | Kinase Assay: For the assay, 11 different concentrations in the range from 20 μM... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38228402 | 10.1021/acs.jmedchem.3c01714 | Interleukin-1 receptor-associated kinase 4 | 1 |
Data from ChEMBL 36 via Core Engine