Compound Detail
CHEMBL5401353
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Basic Information
| ChEMBL ID | CHEMBL5401353 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWPYVVZZLDOPKE-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
448.6
MW (Da)
3.31
ALogP
7
HBA
2
HBD
84.3
PSA (Ų)
0.49
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase TBK1 CHEMBL5408 | IC50 | 7.18 | 7.18 | 66.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase TBK1 | IC50 | = | 66.7 | nM | 7.18 | Inhibition of TBK1 (unknown origin) incubated for 1 hr in presence of ATP by FRE... | 36603506 |
| Serine/threonine-protein kinase TBK1 | IC50 | = | 66.7 | nM | 7.18 | Inhibition of TBK1 (unknown origin) | 37465301 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36603506 | 10.1016/j.ejmech.2022.115034 | Serine/threonine-protein kinase TBK1 | 4 |
| 37465301 | 10.1021/acsmedchemlett.3c00041 | Serine/threonine-protein kinase TBK1 | 1 |
Data from ChEMBL 36 via Core Engine