Compound Detail
CHEMBL4460055
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Basic Information
| ChEMBL ID | CHEMBL4460055 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ITGGDAFWYPNQHZ-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
476.5
MW (Da)
1.90
ALogP
9
HBA
3
HBD
123.9
PSA (Ų)
0.40
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.6
Ki 1 meas. best 8.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Interleukin-1 receptor-associated kinase 4 CHEMBL3778 | Ki | 8.77 | 8.77 | 1.7 | 1 |
| Interleukin-1 receptor-associated kinase 4 CHEMBL3778 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Interleukin-1 receptor-associated kinase 4 | Ki | = | 1.7 | nM | 8.77 | Inhibition of human recombinant full length His6-tagged IRAK4 expressed in bacul... | 31082230 |
| Interleukin-1 receptor-associated kinase 4 | IC50 | = | 250.0 | nM | 6.6 | Inhibition of IRAK4 in human THP1-Xblue-MD2-CD14 cells assessed as reduction in ... | 31082230 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31082230 | 10.1021/acs.jmedchem.9b00439 | Interleukin-1 receptor-associated kinase 4 | 2 |
| 31082230 | 10.1021/acs.jmedchem.9b00439 | Interleukin-1 receptor-associated kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine