Compound Detail
CHEMBL5404729
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Basic Information
| ChEMBL ID | CHEMBL5404729 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ILMYAITZJAJSEG-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
453.5
MW (Da)
1.78
ALogP
8
HBA
2
HBD
118.8
PSA (Ų)
0.58
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Interleukin-1 receptor-associated kinase 4 CHEMBL3778 | IC50 | 7.7 | 7.7 | 20.0 | 2 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 6.65 | 6.65 | 222.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Interleukin-1 receptor-associated kinase 4 | IC50 | = | 20.0 | nM | 7.7 | Inhibition of N-terminal GST-tagged recombinant human IRAK4 expressed in baculov... | 38228402 |
| Interleukin-1 receptor-associated kinase 4 | IC50 | = | 20.0 | nM | 7.7 | Kinase Assay: For the assay, 11 different concentrations in the range from 20 μM... | - |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 222.0 | nM | 6.65 | Inhibition of N-terminal GST-tagged recombinant human FLT3 (564 to end residues)... | 38228402 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38228402 | 10.1021/acs.jmedchem.3c01714 | ADMET | 2 |
| 38228402 | 10.1021/acs.jmedchem.3c01714 | Interleukin-1 receptor-associated kinase 4 | 1 |
| 38228402 | 10.1021/acs.jmedchem.3c01714 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
Data from ChEMBL 36 via Core Engine