Compound Detail
CHEMBL4466981
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4466981 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LAYAHYXTBAXWST-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
478.6
MW (Da)
2.59
ALogP
8
HBA
1
HBD
101.3
PSA (Ų)
0.56
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.72
IC50 1 meas. best 9.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Interleukin-1 receptor-associated kinase 4 CHEMBL3778 | IC50 | 9.49 | 9.49 | 0.3 | 1 |
| Interleukin-1 receptor-associated kinase 4 CHEMBL3778 | Ki | 8.72 | 8.71 | 1.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Interleukin-1 receptor-associated kinase 4 | IC50 | = | 0.32 | nM | 9.49 | Inhibition of IRAK4 in human whole blood assessed as inhibition of R848-induced ... | 32184965 |
| Interleukin-1 receptor-associated kinase 4 | Ki | = | 1.9 | nM | 8.72 | Inhibition of recombinant full-length N-terminal His6-tagged human IRAK4 express... | 32184965 |
| Interleukin-1 receptor-associated kinase 4 | Ki | = | 2.0 | nM | 8.7 | 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