Compound Detail
CHEMBL3353220
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Basic Information
| ChEMBL ID | CHEMBL3353220 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BUJSZRICYLPWCM-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
408.5
MW (Da)
2.90
ALogP
8
HBA
2
HBD
106.3
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Interleukin-1 receptor-associated kinase 4 CHEMBL3778 | IC50 | 8.1 | 8.1 | 8.0 | 2 |
| Tyrosine-protein kinase SYK CHEMBL2599 | IC50 | 6.39 | 6.39 | 410.0 | 2 |
| Interleukin-1 receptor-associated kinase 1 CHEMBL3357 | IC50 | 6.01 | 6.01 | 982.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Interleukin-1 receptor-associated kinase 4 | IC50 | = | 8.0 | nM | 8.1 | Inhibition of IRAK4 (unknown origin) | 25479567 |
| Interleukin-1 receptor-associated kinase 4 | IC50 | = | 8.0 | nM | 8.1 | In vitro IRAK-1 and IRAK-4 Assay: Purified recombinant IRAK-4 protein was incuba... | - |
| Tyrosine-protein kinase SYK | IC50 | = | 410.0 | nM | 6.39 | Inhibition of SYK (unknown origin) | 25479567 |
| Tyrosine-protein kinase SYK | IC50 | = | 410.0 | nM | 6.39 | In vitro SYK Kinase Assay: SYK activity is measured by phosphorylation of a pept... | - |
| Interleukin-1 receptor-associated kinase 1 | IC50 | = | 983.0 | nM | 6.01 | Inhibition of IRAK1 (unknown origin) | 25479567 |
| Interleukin-1 receptor-associated kinase 1 | IC50 | = | 982.5 | nM | 6.01 | In vitro IRAK-1 and IRAK-4 Assay: Purified recombinant IRAK-4 protein was incuba... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25479567 | 10.1021/jm5016044 | Tyrosine-protein kinase SYK | 1 |
| 25479567 | 10.1021/jm5016044 | Interleukin-1 receptor-associated kinase 1 | 1 |
| 25479567 | 10.1021/jm5016044 | Interleukin-1 receptor-associated kinase 4 | 1 |
Data from ChEMBL 36 via Core Engine