Compound Detail
CHEMBL5190644
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COc1cc2nn([C@H]3CC[C@@]4(CCC(=O)N4C)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
Basic Information
| ChEMBL ID | CHEMBL5190644 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HDVFOUJUARLQJK-QFMRLBMFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
473.5
MW (Da)
3.45
ALogP
8
HBA
1
HBD
106.7
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Interleukin-1 receptor-associated kinase 4 CHEMBL3778 | IC50 | 10.0 | 10.0 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Interleukin-1 receptor-associated kinase 4 | IC50 | = | 0.1 | nM | 10.0 | Inhibition of recombinant human full-length His-tagged IRAK4 expressed in baculo... | 35978689 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35978689 | 10.1021/acsmedchemlett.2c00324 | Interleukin-1 receptor-associated kinase 4 | 1 |
Data from ChEMBL 36 via Core Engine