Compound Detail
CHEMBL4094760
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Basic Information
| ChEMBL ID | CHEMBL4094760 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DJVYXMINSBMUHH-CALCHBBNSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
385.5
MW (Da)
2.91
ALogP
6
HBA
2
HBD
75.3
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Interleukin-1 receptor-associated kinase 3 CHEMBL5081 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Interleukin-1 receptor-associated kinase 4 CHEMBL3778 | IC50 | 6.24 | 5.9967 | 570.0 | 3 |
| Interleukin-1 receptor-associated kinase 1 CHEMBL3357 | IC50 | 6.04 | 6.04 | 910.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Interleukin-1 receptor-associated kinase 3 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of kinase tracer 236 binding to recombinant human full-length GST-tag... | 32803978 |
| Interleukin-1 receptor-associated kinase 4 | IC50 | = | 570.0 | nM | 6.24 | Inhibition of recombinant full length His-tagged human IRAK4 expressed in baculo... | 29172502 |
| Interleukin-1 receptor-associated kinase 4 | IC50 | = | 570.0 | nM | 6.24 | Inhibition of recombinant human full-length His-tagged IRAK4 expressed in baculo... | 32803978 |
| Interleukin-1 receptor-associated kinase 1 | IC50 | = | 910.0 | nM | 6.04 | Inhibition of recombinant human N-terminal GST-tagged IRAK1 (194 to 712 residues... | 32803978 |
| Interleukin-1 receptor-associated kinase 4 | IC50 | = | 3100.0 | nM | 5.51 | Inhibition of IRAK4 in human KARPAS299 cells assessed as reduction in IL-1 stimu... | 29172502 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29172502 | 10.1021/acs.jmedchem.7b01290 | Interleukin-1 receptor-associated kinase 4 | 2 |
| 32803978 | 10.1021/acs.jmedchem.0c01125 | Unchecked | 2 |
| 29172502 | 10.1021/acs.jmedchem.7b01290 | No relevant target | 1 |
| 29172502 | 10.1021/acs.jmedchem.7b01290 | ADMET | 1 |
| 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