Compound Detail
CHEMBL4483477
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 | CHEMBL4483477 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LVDMRCKBQDTUEU-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
4
PK Parameters
3
Publications
0
Known Names
Molecular Properties
490.6
MW (Da)
1.91
ALogP
10
HBA
2
HBD
113.0
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.01
Ki 1 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Interleukin-1 receptor-associated kinase 4 CHEMBL3778 | Ki | 8.74 | 8.74 | 1.8 | 1 |
| Interleukin-1 receptor-associated kinase 4 CHEMBL3778 | IC50 | 7.01 | 7.01 | 97.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 245.28 | ng.hr.mL-1 | Mus musculus |
| CL | 23.0 | mL.min-1.kg-1 | Mus musculus |
| Cmax | 200.0 | nM | Mus musculus |
| F | 3.0 | % | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Interleukin-1 receptor-associated kinase 4 | Ki | = | 1.8 | nM | 8.74 | Inhibition of human recombinant full length His6-tagged IRAK4 expressed in bacul... | 31082230 |
| Interleukin-1 receptor-associated kinase 4 | IC50 | = | 97.0 | nM | 7.01 | 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 | ADMET | 8 |
| 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