Compound Detail
CHEMBL4089619
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Basic Information
| ChEMBL ID | CHEMBL4089619 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IGHCPQNSSZGPEV-CYBMUJFWSA-N |
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
329.4
MW (Da)
2.25
ALogP
5
HBA
2
HBD
86.5
PSA (Ų)
0.88
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Interleukin-1 receptor-associated kinase 4 CHEMBL3778 | IC50 | 6.92 | 6.365 | 121.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 11.0 | mL.min-1.g-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Interleukin-1 receptor-associated kinase 4 | IC50 | = | 121.0 | nM | 6.92 | Inhibition of N-terminal His6-tagged human full length IRAK4 preincubated for 20... | 28498658 |
| Interleukin-1 receptor-associated kinase 4 | IC50 | = | 1552.0 | nM | 5.81 | Inhibition of IRAK4 in human PBMC assessed as reduction in R848-stimulated TNF a... | 28498658 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28498658 | 10.1021/acs.jmedchem.7b00231 | Interleukin-1 receptor-associated kinase 4 | 2 |
| 28498658 | 10.1021/acs.jmedchem.7b00231 | No relevant target | 1 |
| 28498658 | 10.1021/acs.jmedchem.7b00231 | MDCKII-LE | 1 |
| 28498658 | 10.1021/acs.jmedchem.7b00231 | Liver | 1 |
Data from ChEMBL 36 via Core Engine