Compound Detail
CHEMBL5438323
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Basic Information
| ChEMBL ID | CHEMBL5438323 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DJLLIRITIQDYIK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
450.6
MW (Da)
3.56
ALogP
7
HBA
2
HBD
84.3
PSA (Ų)
0.41
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase TBK1 CHEMBL5408 | IC50 | 7.45 | 7.45 | 35.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase TBK1 | IC50 | = | 35.7 | nM | 7.45 | Inhibition of TBK1 (unknown origin) incubated for 1 hr in presence of ATP by FRE... | 36603506 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36603506 | 10.1016/j.ejmech.2022.115034 | Serine/threonine-protein kinase TBK1 | 4 |
Data from ChEMBL 36 via Core Engine