Compound Detail
CHEMBL3353206
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Basic Information
| ChEMBL ID | CHEMBL3353206 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XTVOMCVEGADMQN-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
2
PK Parameters
6
Publications
0
Known Names
Molecular Properties
325.3
MW (Da)
0.57
ALogP
7
HBA
2
HBD
120.7
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Interleukin-1 receptor-associated kinase 4 CHEMBL3778 | IC50 | 7.5 | 7.325 | 32.0 | 4 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 53.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 53.0 | mL.min-1.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Interleukin-1 receptor-associated kinase 4 | IC50 | = | 32.0 | nM | 7.5 | Inhibition of IRAK4 (unknown origin) | 25479567 |
| Interleukin-1 receptor-associated kinase 4 | IC50 | = | 32.0 | nM | 7.5 | IMAP Technology: The kinase activity of IRAK4 is determined by its ability to ca... | - |
| Interleukin-1 receptor-associated kinase 4 | IC50 | = | 36.0 | nM | 7.44 | Inhibition of human recombinant N-terminal GST-tagged full-length IRAK4 expresse... | 27476420 |
| Interleukin-1 receptor-associated kinase 4 | IC50 | = | 138.0 | nM | 6.86 | Inhibition of recombinant N-terminal GST-tagged full-length IRAK4 in human THP1-... | 27476420 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27476420 | 10.1016/j.bmcl.2016.07.048 | ADMET | 4 |
| 27476420 | 10.1016/j.bmcl.2016.07.048 | Interleukin-1 receptor-associated kinase 4 | 3 |
| 27476420 | 10.1016/j.bmcl.2016.07.048 | Unchecked | 2 |
| 27476420 | 10.1016/j.bmcl.2016.07.048 | Cytochrome P450 | 2 |
| 25479567 | 10.1021/jm5016044 | Interleukin-1 receptor-associated kinase 4 | 1 |
| 27476420 | 10.1016/j.bmcl.2016.07.048 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine