Compound Detail
CHEMBL4788568
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Basic Information
| ChEMBL ID | CHEMBL4788568 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ACJQMCQTSXRKNU-CALCHBBNSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
384.5
MW (Da)
2.97
ALogP
5
HBA
2
HBD
77.2
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Interleukin-1 receptor-associated kinase 3 CHEMBL5081 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Interleukin-1 receptor-associated kinase 4 CHEMBL3778 | IC50 | 6.08 | 6.08 | 840.0 | 1 |
| Interleukin-1 receptor-associated kinase 1 CHEMBL3357 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Interleukin-1 receptor-associated kinase 3 | IC50 | = | 4.0 | nM | 8.4 | Inhibition of kinase tracer 236 binding to recombinant human full-length GST-tag... | 32803978 |
| Interleukin-1 receptor-associated kinase 4 | IC50 | = | 840.0 | nM | 6.08 | Inhibition of recombinant human full-length His-tagged IRAK4 expressed in baculo... | 32803978 |
| Interleukin-1 receptor-associated kinase 1 | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of recombinant human N-terminal GST-tagged IRAK1 (194 to 712 residues... | 32803978 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32803978 | 10.1021/acs.jmedchem.0c01125 | Unchecked | 2 |
| 32803978 | 10.1021/acs.jmedchem.0c01125 | Interleukin-1 receptor-associated kinase 1 | 1 |
| 32803978 | 10.1021/acs.jmedchem.0c01125 | Interleukin-1 receptor-associated kinase 3 | 1 |
| 32803978 | 10.1021/acs.jmedchem.0c01125 | Interleukin-1 receptor-associated kinase 4 | 1 |
| 32803978 | 10.1021/acs.jmedchem.0c01125 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine