Compound Detail
CHEMBL4472406
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Basic Information
| ChEMBL ID | CHEMBL4472406 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SABMBLXWESIUCC-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
464.5
MW (Da)
1.94
ALogP
8
HBA
2
HBD
112.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.66
IC50 1 meas. best 9.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Interleukin-1 receptor-associated kinase 4 CHEMBL3778 | IC50 | 9.8 | 9.8 | 0.2 | 1 |
| Interleukin-1 receptor-associated kinase 4 CHEMBL3778 | Ki | 8.66 | 8.66 | 2.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Interleukin-1 receptor-associated kinase 4 | IC50 | = | 0.16 | nM | 9.8 | Inhibition of IRAK4 in human whole blood assessed as inhibition of R848-induced ... | 32184965 |
| Interleukin-1 receptor-associated kinase 4 | Ki | = | 2.2 | nM | 8.66 | Inhibition of recombinant full-length N-terminal His6-tagged human IRAK4 express... | 32184965 |
| Interleukin-1 receptor-associated kinase 4 | Ki | = | 2.2 | nM | 8.66 | Biological Assay: Kinase activities were assayed using the Transcreener-Fluorece... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32184965 | 10.1021/acsmedchemlett.9b00380 | Interleukin-1 receptor-associated kinase 4 | 3 |
| 32184965 | 10.1021/acsmedchemlett.9b00380 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine