Compound Detail
CHEMBL5438284
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COc1ccc(-c2cc3c(cc2NC(=O)c2coc(-c4ccnc(N)c4)n2)CC(C)(C)O3)cn1
Basic Information
| ChEMBL ID | CHEMBL5438284 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SNSLQXJERLQBJZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
457.5
MW (Da)
4.36
ALogP
8
HBA
2
HBD
125.4
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Interleukin-1 receptor-associated kinase 4 CHEMBL3778 | IC50 | 7.57 | 7.57 | 26.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Interleukin-1 receptor-associated kinase 4 | IC50 | = | 26.8 | nM | 7.57 | Inhibition of IRAK4 (unknown origin) by Z-LYTE enzymatic kinase assay | 37163947 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37163947 | 10.1016/j.ejmech.2023.115453 | Interleukin-1 receptor-associated kinase 4 | 1 |
Data from ChEMBL 36 via Core Engine