Compound Detail
CHEMBL402629
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Basic Information
| ChEMBL ID | CHEMBL402629 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QTFQLQSPZXWTOC-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
2
PK Parameters
6
Publications
0
Known Names
Molecular Properties
323.4
MW (Da)
2.57
ALogP
6
HBA
2
HBD
63.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Interleukin-1 receptor-associated kinase 4 CHEMBL3778 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 19.5 | mL.min-1.g-1 | Homo sapiens |
| CL | 5.3 | mL.min-1.g-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 | = | 6.0 | nM | 8.22 | Inhibition of IRAK4 | 18501603 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18501603 | 10.1016/j.bmcl.2008.04.042 | ADMET | 2 |
| 18501603 | 10.1016/j.bmcl.2008.04.042 | Interleukin-1 receptor-associated kinase 4 | 1 |
| 18501603 | 10.1016/j.bmcl.2008.04.042 | Interleukin-1 receptor-associated kinase 1 | 1 |
| 18501603 | 10.1016/j.bmcl.2008.04.042 | PBMC | 1 |
| 18501603 | 10.1016/j.bmcl.2008.04.042 | Cytochrome P450 3A4 | 1 |
| 18501603 | 10.1016/j.bmcl.2008.04.042 | Cytochrome P450 2D6 | 1 |
Data from ChEMBL 36 via Core Engine