Compound Detail
CHEMBL3361252
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Basic Information
| ChEMBL ID | CHEMBL3361252 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | URDBLCLSFRUNRD-HAQNSBGRSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
316.5
MW (Da)
3.46
ALogP
5
HBA
1
HBD
41.0
PSA (Ų)
0.94
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.85
Ki 1 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Interleukin-1 receptor-associated kinase 4 CHEMBL3778 | Ki | 7.3 | 7.3 | 50.0 | 1 |
| Interleukin-1 receptor-associated kinase 4 CHEMBL3778 | IC50 | 6.85 | 6.58 | 140.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Interleukin-1 receptor-associated kinase 4 | Ki | = | 50.0 | nM | 7.3 | Inhibition of N-terminal GST-fused full-length human IRAK4 (1 to 460 amino acids... | 25479567 |
| Interleukin-1 receptor-associated kinase 4 | IC50 | = | 140.0 | nM | 6.85 | Inhibition of recombinant full length His-tagged human IRAK4 expressed in baculo... | 29172502 |
| Interleukin-1 receptor-associated kinase 4 | IC50 | = | 490.0 | nM | 6.31 | Inhibition of IRAK4 in human KARPAS299 cells assessed as reduction in IL-1 stimu... | 29172502 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29172502 | 10.1021/acs.jmedchem.7b01290 | Interleukin-1 receptor-associated kinase 4 | 2 |
| 25479567 | 10.1021/jm5016044 | Interleukin-1 receptor-associated kinase 4 | 1 |
| 29172502 | 10.1021/acs.jmedchem.7b01290 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine